USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 973 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 121 GLN : amide:sc= -0.0441 K(o=-0.82,f=-0.23) USER MOD Set 1.2: A 143 ASN : amide:sc= -0.775 K(o=-0.82,f=-0.23) USER MOD Set 2.1: A 103 LYS NZ :NH3+ -122:sc= 0.229 (180deg=0) USER MOD Set 2.2: A 124 GLN : amide:sc= 0.0187 K(o=0.25,f=-0.61) USER MOD Set 3.1: A 92 SER OG : rot 29:sc= 1.21 USER MOD Set 3.2: A 94 ASN : amide:sc= -0.84 K(o=0.37,f=-0.61!) USER MOD Set 4.1: A 20 CYS SG : rot -80:sc= -0.519 USER MOD Set 4.2: A 37 MET CE :methyl -109:sc= -2.12 (180deg=-4.16!) USER MOD Set 4.3: A 71 TYR OH : rot -178:sc= -0.277 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0202 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=0.66) USER MOD Single : A 29 HIS : no HE2:sc=0.000381 X(o=0.00038,f=-0.12) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 150:sc= -0.546 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -2.67 K(o=-2.7,f=-0.81) USER MOD Single : A 42 GLN : amide:sc= -2.34 K(o=-2.3,f=-9.1!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -10:sc= 0.838 USER MOD Single : A 56 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.151 K(o=-0.15,f=-1) USER MOD Single : A 70 CYS SG : rot 0:sc= 0.0778 USER MOD Single : A 87 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0545) USER MOD Single : A 97 SER OG : rot 180:sc= 0.0372 USER MOD Single : A 102 THR OG1 : rot 90:sc= -2.77! USER MOD Single : A 104 MET CE :methyl -153:sc= -0.697 (180deg=-2.1!) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.251 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -39:sc= 0.58 USER MOD Single : A 117 THR OG1 : rot -51:sc= 0.595 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 ASN : amide:sc= -0.705 K(o=-0.7,f=-1.9) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 170:sc= -0.315 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 14 -4.729 7.643 -3.862 1.00 31.10 N ATOM 64 CA VAL A 14 -5.037 8.175 -2.540 1.00 12.20 C ATOM 65 C VAL A 14 -4.118 9.340 -2.189 1.00 32.35 C ATOM 66 O VAL A 14 -2.900 9.181 -2.112 1.00 1.22 O ATOM 67 CB VAL A 14 -4.911 7.090 -1.454 1.00 64.25 C ATOM 68 CG1 VAL A 14 -3.546 6.422 -1.523 1.00 45.33 C ATOM 69 CG2 VAL A 14 -5.153 7.685 -0.076 1.00 33.03 C ATOM 0 HA VAL A 14 -6.068 8.526 -2.573 1.00 12.20 H new ATOM 0 HB VAL A 14 -5.671 6.330 -1.635 1.00 64.25 H new ATOM 0 HG11 VAL A 14 -3.475 5.658 -0.748 1.00 45.33 H new ATOM 0 HG12 VAL A 14 -3.416 5.960 -2.501 1.00 45.33 H new ATOM 0 HG13 VAL A 14 -2.767 7.169 -1.369 1.00 45.33 H new ATOM 0 HG21 VAL A 14 -5.060 6.904 0.679 1.00 33.03 H new ATOM 0 HG22 VAL A 14 -4.418 8.466 0.117 1.00 33.03 H new ATOM 0 HG23 VAL A 14 -6.155 8.112 -0.035 1.00 33.03 H new ATOM 79 N SER A 15 -4.711 10.510 -1.975 1.00 45.32 N ATOM 80 CA SER A 15 -3.945 11.704 -1.635 1.00 22.43 C ATOM 81 C SER A 15 -4.651 12.511 -0.550 1.00 53.42 C ATOM 82 O SER A 15 -5.869 12.688 -0.585 1.00 72.33 O ATOM 83 CB SER A 15 -3.734 12.571 -2.877 1.00 5.52 C ATOM 84 OG SER A 15 -2.493 12.281 -3.497 1.00 21.20 O ATOM 0 H SER A 15 -5.719 10.657 -2.031 1.00 45.32 H new ATOM 0 HA SER A 15 -2.974 11.387 -1.254 1.00 22.43 H new ATOM 0 HB2 SER A 15 -4.546 12.402 -3.584 1.00 5.52 H new ATOM 0 HB3 SER A 15 -3.768 13.624 -2.599 1.00 5.52 H new ATOM 0 HG SER A 15 -2.383 12.847 -4.289 1.00 21.20 H new ATOM 90 N VAL A 16 -3.877 13.000 0.414 1.00 53.44 N ATOM 91 CA VAL A 16 -4.427 13.791 1.509 1.00 71.44 C ATOM 92 C VAL A 16 -4.737 15.214 1.058 1.00 25.30 C ATOM 93 O VAL A 16 -3.886 15.892 0.483 1.00 52.22 O ATOM 94 CB VAL A 16 -3.459 13.842 2.705 1.00 23.22 C ATOM 95 CG1 VAL A 16 -2.103 14.378 2.272 1.00 25.33 C ATOM 96 CG2 VAL A 16 -4.042 14.688 3.827 1.00 73.14 C ATOM 0 H VAL A 16 -2.867 12.862 0.459 1.00 53.44 H new ATOM 0 HA VAL A 16 -5.351 13.303 1.819 1.00 71.44 H new ATOM 0 HB VAL A 16 -3.319 12.828 3.080 1.00 23.22 H new ATOM 0 HG11 VAL A 16 -1.432 14.407 3.131 1.00 25.33 H new ATOM 0 HG12 VAL A 16 -1.683 13.728 1.505 1.00 25.33 H new ATOM 0 HG13 VAL A 16 -2.221 15.384 1.870 1.00 25.33 H new ATOM 0 HG21 VAL A 16 -3.344 14.713 4.664 1.00 73.14 H new ATOM 0 HG22 VAL A 16 -4.213 15.702 3.467 1.00 73.14 H new ATOM 0 HG23 VAL A 16 -4.987 14.256 4.155 1.00 73.14 H new ATOM 106 N ALA A 17 -5.960 15.660 1.324 1.00 3.00 N ATOM 107 CA ALA A 17 -6.381 17.004 0.948 1.00 31.13 C ATOM 108 C ALA A 17 -5.636 18.059 1.758 1.00 13.45 C ATOM 109 O ALA A 17 -5.081 17.765 2.817 1.00 3.30 O ATOM 110 CB ALA A 17 -7.884 17.157 1.133 1.00 24.12 C ATOM 0 H ALA A 17 -6.677 15.111 1.798 1.00 3.00 H new ATOM 0 HA ALA A 17 -6.138 17.154 -0.104 1.00 31.13 H new ATOM 0 HB1 ALA A 17 -8.185 18.165 0.849 1.00 24.12 H new ATOM 0 HB2 ALA A 17 -8.403 16.433 0.505 1.00 24.12 H new ATOM 0 HB3 ALA A 17 -8.142 16.983 2.178 1.00 24.12 H new ATOM 116 N ASP A 18 -5.628 19.288 1.254 1.00 13.44 N ATOM 117 CA ASP A 18 -4.952 20.388 1.932 1.00 44.31 C ATOM 118 C ASP A 18 -5.607 20.683 3.278 1.00 51.35 C ATOM 119 O ASP A 18 -4.923 20.905 4.276 1.00 50.11 O ATOM 120 CB ASP A 18 -4.969 21.642 1.057 1.00 43.44 C ATOM 121 CG ASP A 18 -3.713 21.780 0.218 1.00 53.12 C ATOM 122 OD1 ASP A 18 -2.611 21.547 0.757 1.00 43.33 O ATOM 123 OD2 ASP A 18 -3.833 22.120 -0.978 1.00 33.33 O ATOM 0 H ASP A 18 -6.082 19.548 0.378 1.00 13.44 H new ATOM 0 HA ASP A 18 -3.918 20.092 2.109 1.00 44.31 H new ATOM 0 HB2 ASP A 18 -5.839 21.612 0.401 1.00 43.44 H new ATOM 0 HB3 ASP A 18 -5.078 22.522 1.691 1.00 43.44 H new ATOM 128 N GLU A 19 -6.936 20.685 3.295 1.00 74.21 N ATOM 129 CA GLU A 19 -7.683 20.955 4.518 1.00 73.41 C ATOM 130 C GLU A 19 -7.299 19.970 5.619 1.00 71.15 C ATOM 131 O GLU A 19 -7.271 20.322 6.799 1.00 71.54 O ATOM 132 CB GLU A 19 -9.188 20.876 4.251 1.00 41.23 C ATOM 133 CG GLU A 19 -9.687 19.465 3.987 1.00 4.34 C ATOM 134 CD GLU A 19 -11.190 19.404 3.797 1.00 23.23 C ATOM 135 OE1 GLU A 19 -11.905 20.163 4.484 1.00 35.31 O ATOM 136 OE2 GLU A 19 -11.650 18.597 2.963 1.00 53.44 O ATOM 0 H GLU A 19 -7.517 20.503 2.477 1.00 74.21 H new ATOM 0 HA GLU A 19 -7.432 21.962 4.851 1.00 73.41 H new ATOM 0 HB2 GLU A 19 -9.722 21.287 5.108 1.00 41.23 H new ATOM 0 HB3 GLU A 19 -9.430 21.504 3.394 1.00 41.23 H new ATOM 0 HG2 GLU A 19 -9.196 19.070 3.098 1.00 4.34 H new ATOM 0 HG3 GLU A 19 -9.403 18.822 4.820 1.00 4.34 H new ATOM 143 N CYS A 20 -7.005 18.736 5.224 1.00 44.32 N ATOM 144 CA CYS A 20 -6.623 17.699 6.176 1.00 13.32 C ATOM 145 C CYS A 20 -5.226 17.958 6.731 1.00 15.13 C ATOM 146 O CYS A 20 -4.974 17.766 7.921 1.00 53.30 O ATOM 147 CB CYS A 20 -6.674 16.323 5.511 1.00 51.20 C ATOM 148 SG CYS A 20 -6.058 14.978 6.550 1.00 64.21 S ATOM 0 H CYS A 20 -7.024 18.429 4.251 1.00 44.32 H new ATOM 0 HA CYS A 20 -7.332 17.721 7.003 1.00 13.32 H new ATOM 0 HB2 CYS A 20 -7.704 16.106 5.227 1.00 51.20 H new ATOM 0 HB3 CYS A 20 -6.090 16.354 4.591 1.00 51.20 H new ATOM 0 HG CYS A 20 -4.759 14.963 6.516 1.00 64.21 H new ATOM 154 N VAL A 21 -4.321 18.393 5.861 1.00 3.32 N ATOM 155 CA VAL A 21 -2.949 18.678 6.264 1.00 64.11 C ATOM 156 C VAL A 21 -2.898 19.819 7.273 1.00 4.32 C ATOM 157 O VAL A 21 -2.269 19.705 8.326 1.00 44.32 O ATOM 158 CB VAL A 21 -2.071 19.040 5.051 1.00 53.22 C ATOM 159 CG1 VAL A 21 -0.645 19.331 5.491 1.00 2.22 C ATOM 160 CG2 VAL A 21 -2.102 17.923 4.019 1.00 71.11 C ATOM 0 H VAL A 21 -4.513 18.556 4.873 1.00 3.32 H new ATOM 0 HA VAL A 21 -2.560 17.771 6.726 1.00 64.11 H new ATOM 0 HB VAL A 21 -2.474 19.942 4.589 1.00 53.22 H new ATOM 0 HG11 VAL A 21 -0.040 19.585 4.620 1.00 2.22 H new ATOM 0 HG12 VAL A 21 -0.643 20.167 6.190 1.00 2.22 H new ATOM 0 HG13 VAL A 21 -0.228 18.450 5.978 1.00 2.22 H new ATOM 0 HG21 VAL A 21 -1.476 18.196 3.169 1.00 71.11 H new ATOM 0 HG22 VAL A 21 -1.725 17.003 4.467 1.00 71.11 H new ATOM 0 HG23 VAL A 21 -3.127 17.769 3.681 1.00 71.11 H new ATOM 170 N THR A 22 -3.565 20.922 6.946 1.00 63.21 N ATOM 171 CA THR A 22 -3.595 22.085 7.823 1.00 14.30 C ATOM 172 C THR A 22 -4.332 21.776 9.121 1.00 14.00 C ATOM 173 O THR A 22 -3.877 22.137 10.206 1.00 42.13 O ATOM 174 CB THR A 22 -4.270 23.288 7.137 1.00 1.31 C ATOM 175 OG1 THR A 22 -4.019 23.253 5.728 1.00 61.33 O ATOM 176 CG2 THR A 22 -3.757 24.598 7.716 1.00 53.53 C ATOM 0 H THR A 22 -4.092 21.034 6.080 1.00 63.21 H new ATOM 0 HA THR A 22 -2.559 22.338 8.048 1.00 14.30 H new ATOM 0 HB THR A 22 -5.343 23.225 7.316 1.00 1.31 H new ATOM 0 HG1 THR A 22 -4.453 24.020 5.299 1.00 61.33 H new ATOM 0 HG21 THR A 22 -4.248 25.433 7.216 1.00 53.53 H new ATOM 0 HG22 THR A 22 -3.976 24.634 8.783 1.00 53.53 H new ATOM 0 HG23 THR A 22 -2.680 24.666 7.564 1.00 53.53 H new ATOM 184 N ALA A 23 -5.473 21.105 9.003 1.00 75.02 N ATOM 185 CA ALA A 23 -6.272 20.745 10.168 1.00 71.23 C ATOM 186 C ALA A 23 -5.463 19.903 11.149 1.00 73.02 C ATOM 187 O ALA A 23 -5.521 20.116 12.361 1.00 53.44 O ATOM 188 CB ALA A 23 -7.526 19.998 9.737 1.00 11.15 C ATOM 0 H ALA A 23 -5.865 20.800 8.112 1.00 75.02 H new ATOM 0 HA ALA A 23 -6.566 21.664 10.675 1.00 71.23 H new ATOM 0 HB1 ALA A 23 -8.113 19.735 10.617 1.00 11.15 H new ATOM 0 HB2 ALA A 23 -8.120 20.633 9.080 1.00 11.15 H new ATOM 0 HB3 ALA A 23 -7.244 19.090 9.205 1.00 11.15 H new ATOM 194 N LEU A 24 -4.710 18.946 10.619 1.00 71.33 N ATOM 195 CA LEU A 24 -3.889 18.070 11.448 1.00 13.53 C ATOM 196 C LEU A 24 -2.727 18.840 12.068 1.00 52.00 C ATOM 197 O LEU A 24 -2.394 18.646 13.236 1.00 20.21 O ATOM 198 CB LEU A 24 -3.357 16.901 10.619 1.00 63.13 C ATOM 199 CG LEU A 24 -4.387 15.853 10.196 1.00 13.24 C ATOM 200 CD1 LEU A 24 -3.814 14.943 9.121 1.00 2.33 C ATOM 201 CD2 LEU A 24 -4.844 15.040 11.398 1.00 31.45 C ATOM 0 H LEU A 24 -4.651 18.757 9.619 1.00 71.33 H new ATOM 0 HA LEU A 24 -4.514 17.681 12.252 1.00 13.53 H new ATOM 0 HB2 LEU A 24 -2.888 17.303 9.721 1.00 63.13 H new ATOM 0 HB3 LEU A 24 -2.575 16.402 11.192 1.00 63.13 H new ATOM 0 HG LEU A 24 -5.253 16.369 9.781 1.00 13.24 H new ATOM 0 HD11 LEU A 24 -4.562 14.204 8.833 1.00 2.33 H new ATOM 0 HD12 LEU A 24 -3.538 15.538 8.250 1.00 2.33 H new ATOM 0 HD13 LEU A 24 -2.931 14.434 9.508 1.00 2.33 H new ATOM 0 HD21 LEU A 24 -5.577 14.299 11.079 1.00 31.45 H new ATOM 0 HD22 LEU A 24 -3.987 14.534 11.843 1.00 31.45 H new ATOM 0 HD23 LEU A 24 -5.296 15.703 12.135 1.00 31.45 H new ATOM 213 N ASN A 25 -2.116 19.716 11.277 1.00 24.12 N ATOM 214 CA ASN A 25 -0.991 20.517 11.749 1.00 75.53 C ATOM 215 C ASN A 25 -1.387 21.346 12.967 1.00 73.24 C ATOM 216 O ASN A 25 -0.663 21.392 13.961 1.00 43.31 O ATOM 217 CB ASN A 25 -0.490 21.436 10.633 1.00 25.42 C ATOM 218 CG ASN A 25 0.721 20.868 9.917 1.00 11.03 C ATOM 219 OD1 ASN A 25 0.589 20.128 8.943 1.00 72.43 O ATOM 220 ND2 ASN A 25 1.909 21.214 10.399 1.00 20.43 N ATOM 0 H ASN A 25 -2.380 19.890 10.307 1.00 24.12 H new ATOM 0 HA ASN A 25 -0.189 19.838 12.039 1.00 75.53 H new ATOM 0 HB2 ASN A 25 -1.292 21.599 9.913 1.00 25.42 H new ATOM 0 HB3 ASN A 25 -0.237 22.409 11.053 1.00 25.42 H new ATOM 0 HD21 ASN A 25 2.760 20.863 9.959 1.00 20.43 H new ATOM 0 HD22 ASN A 25 1.971 21.830 11.209 1.00 20.43 H new ATOM 227 N ASP A 26 -2.541 21.998 12.881 1.00 14.14 N ATOM 228 CA ASP A 26 -3.035 22.825 13.977 1.00 72.42 C ATOM 229 C ASP A 26 -3.509 21.959 15.140 1.00 74.32 C ATOM 230 O ASP A 26 -3.330 22.314 16.306 1.00 61.44 O ATOM 231 CB ASP A 26 -4.177 23.721 13.493 1.00 25.34 C ATOM 232 CG ASP A 26 -3.805 24.515 12.257 1.00 70.13 C ATOM 233 OD1 ASP A 26 -2.699 25.094 12.234 1.00 30.11 O ATOM 234 OD2 ASP A 26 -4.621 24.558 11.312 1.00 43.23 O ATOM 0 H ASP A 26 -3.152 21.970 12.065 1.00 14.14 H new ATOM 0 HA ASP A 26 -2.214 23.452 14.325 1.00 72.42 H new ATOM 0 HB2 ASP A 26 -5.051 23.106 13.277 1.00 25.34 H new ATOM 0 HB3 ASP A 26 -4.460 24.408 14.291 1.00 25.34 H new ATOM 239 N LEU A 27 -4.116 20.822 14.816 1.00 51.35 N ATOM 240 CA LEU A 27 -4.618 19.905 15.833 1.00 4.22 C ATOM 241 C LEU A 27 -3.486 19.417 16.732 1.00 63.14 C ATOM 242 O LEU A 27 -3.671 19.229 17.934 1.00 74.31 O ATOM 243 CB LEU A 27 -5.312 18.712 15.175 1.00 54.11 C ATOM 244 CG LEU A 27 -5.803 17.616 16.121 1.00 75.42 C ATOM 245 CD1 LEU A 27 -7.208 17.926 16.614 1.00 72.21 C ATOM 246 CD2 LEU A 27 -5.766 16.260 15.431 1.00 63.21 C ATOM 0 H LEU A 27 -4.272 20.513 13.856 1.00 51.35 H new ATOM 0 HA LEU A 27 -5.340 20.443 16.448 1.00 4.22 H new ATOM 0 HB2 LEU A 27 -6.165 19.082 14.606 1.00 54.11 H new ATOM 0 HB3 LEU A 27 -4.622 18.265 14.460 1.00 54.11 H new ATOM 0 HG LEU A 27 -5.137 17.582 16.983 1.00 75.42 H new ATOM 0 HD11 LEU A 27 -7.541 17.135 17.286 1.00 72.21 H new ATOM 0 HD12 LEU A 27 -7.205 18.877 17.146 1.00 72.21 H new ATOM 0 HD13 LEU A 27 -7.887 17.988 15.763 1.00 72.21 H new ATOM 0 HD21 LEU A 27 -6.119 15.492 16.119 1.00 63.21 H new ATOM 0 HD22 LEU A 27 -6.409 16.282 14.551 1.00 63.21 H new ATOM 0 HD23 LEU A 27 -4.744 16.034 15.128 1.00 63.21 H new ATOM 258 N ARG A 28 -2.313 19.216 16.140 1.00 24.32 N ATOM 259 CA ARG A 28 -1.150 18.751 16.887 1.00 33.51 C ATOM 260 C ARG A 28 -0.745 19.767 17.951 1.00 34.41 C ATOM 261 O ARG A 28 -0.113 19.418 18.949 1.00 54.11 O ATOM 262 CB ARG A 28 0.023 18.494 15.939 1.00 14.10 C ATOM 263 CG ARG A 28 0.901 19.714 15.713 1.00 20.31 C ATOM 264 CD ARG A 28 2.073 19.744 16.682 1.00 73.41 C ATOM 265 NE ARG A 28 3.323 19.346 16.041 1.00 63.12 N ATOM 266 CZ ARG A 28 4.477 19.232 16.689 1.00 44.45 C ATOM 267 NH1 ARG A 28 4.539 19.485 17.989 1.00 64.43 N ATOM 268 NH2 ARG A 28 5.573 18.865 16.036 1.00 53.34 N ATOM 0 H ARG A 28 -2.143 19.368 15.146 1.00 24.32 H new ATOM 0 HA ARG A 28 -1.418 17.818 17.383 1.00 33.51 H new ATOM 0 HB2 ARG A 28 0.634 17.686 16.341 1.00 14.10 H new ATOM 0 HB3 ARG A 28 -0.364 18.153 14.979 1.00 14.10 H new ATOM 0 HG2 ARG A 28 1.274 19.710 14.689 1.00 20.31 H new ATOM 0 HG3 ARG A 28 0.306 20.619 15.832 1.00 20.31 H new ATOM 0 HD2 ARG A 28 2.179 20.749 17.091 1.00 73.41 H new ATOM 0 HD3 ARG A 28 1.867 19.078 17.520 1.00 73.41 H new ATOM 0 HE ARG A 28 3.309 19.145 15.041 1.00 63.12 H new ATOM 0 HH11 ARG A 28 3.699 19.768 18.494 1.00 64.43 H new ATOM 0 HH12 ARG A 28 5.426 19.397 18.484 1.00 64.43 H new ATOM 0 HH21 ARG A 28 5.530 18.670 15.036 1.00 53.34 H new ATOM 0 HH22 ARG A 28 6.459 18.778 16.535 1.00 53.34 H new ATOM 282 N HIS A 29 -1.113 21.025 17.731 1.00 73.11 N ATOM 283 CA HIS A 29 -0.789 22.092 18.671 1.00 65.03 C ATOM 284 C HIS A 29 -1.978 22.400 19.575 1.00 21.34 C ATOM 285 O HIS A 29 -2.063 23.479 20.162 1.00 42.03 O ATOM 286 CB HIS A 29 -0.367 23.353 17.917 1.00 45.42 C ATOM 287 CG HIS A 29 0.707 24.134 18.610 1.00 44.33 C ATOM 288 ND1 HIS A 29 0.450 25.032 19.625 1.00 73.54 N ATOM 289 CD2 HIS A 29 2.049 24.147 18.430 1.00 52.23 C ATOM 290 CE1 HIS A 29 1.586 25.564 20.038 1.00 70.14 C ATOM 291 NE2 HIS A 29 2.572 25.044 19.329 1.00 73.31 N ATOM 0 H HIS A 29 -1.636 21.330 16.910 1.00 73.11 H new ATOM 0 HA HIS A 29 0.040 21.755 19.293 1.00 65.03 H new ATOM 0 HB2 HIS A 29 -0.017 23.072 16.924 1.00 45.42 H new ATOM 0 HB3 HIS A 29 -1.239 23.993 17.779 1.00 45.42 H new ATOM 0 HD1 HIS A 29 -0.474 25.251 19.998 1.00 73.54 H new ATOM 0 HD2 HIS A 29 2.605 23.561 17.713 1.00 52.23 H new ATOM 0 HE1 HIS A 29 1.691 26.299 20.822 1.00 70.14 H new ATOM 299 N LYS A 30 -2.895 21.445 19.684 1.00 73.32 N ATOM 300 CA LYS A 30 -4.080 21.612 20.517 1.00 11.20 C ATOM 301 C LYS A 30 -4.941 22.767 20.013 1.00 25.44 C ATOM 302 O LYS A 30 -5.385 23.609 20.793 1.00 15.31 O ATOM 303 CB LYS A 30 -3.675 21.861 21.972 1.00 61.14 C ATOM 304 CG LYS A 30 -4.695 21.363 22.981 1.00 51.42 C ATOM 305 CD LYS A 30 -5.069 22.448 23.977 1.00 4.03 C ATOM 306 CE LYS A 30 -6.401 22.153 24.649 1.00 51.23 C ATOM 307 NZ LYS A 30 -6.812 23.248 25.570 1.00 13.51 N ATOM 0 H LYS A 30 -2.840 20.546 19.205 1.00 73.32 H new ATOM 0 HA LYS A 30 -4.665 20.694 20.461 1.00 11.20 H new ATOM 0 HB2 LYS A 30 -2.719 21.373 22.163 1.00 61.14 H new ATOM 0 HB3 LYS A 30 -3.522 22.930 22.120 1.00 61.14 H new ATOM 0 HG2 LYS A 30 -5.589 21.023 22.458 1.00 51.42 H new ATOM 0 HG3 LYS A 30 -4.291 20.502 23.514 1.00 51.42 H new ATOM 0 HD2 LYS A 30 -4.289 22.533 24.734 1.00 4.03 H new ATOM 0 HD3 LYS A 30 -5.123 23.409 23.466 1.00 4.03 H new ATOM 0 HE2 LYS A 30 -7.168 22.012 23.888 1.00 51.23 H new ATOM 0 HE3 LYS A 30 -6.328 21.219 25.206 1.00 51.23 H new ATOM 0 HZ1 LYS A 30 -7.724 23.009 26.008 1.00 13.51 H new ATOM 0 HZ2 LYS A 30 -6.092 23.366 26.311 1.00 13.51 H new ATOM 0 HZ3 LYS A 30 -6.907 24.135 25.035 1.00 13.51 H new ATOM 321 N LYS A 31 -5.173 22.799 18.706 1.00 62.24 N ATOM 322 CA LYS A 31 -5.982 23.848 18.097 1.00 34.23 C ATOM 323 C LYS A 31 -7.465 23.623 18.379 1.00 44.23 C ATOM 324 O LYS A 31 -8.174 24.541 18.790 1.00 52.33 O ATOM 325 CB LYS A 31 -5.741 23.896 16.587 1.00 63.11 C ATOM 326 CG LYS A 31 -6.638 24.881 15.858 1.00 1.55 C ATOM 327 CD LYS A 31 -7.836 24.187 15.232 1.00 43.41 C ATOM 328 CE LYS A 31 -8.320 24.922 13.991 1.00 4.33 C ATOM 329 NZ LYS A 31 -9.538 25.733 14.267 1.00 71.13 N ATOM 0 H LYS A 31 -4.812 22.110 18.047 1.00 62.24 H new ATOM 0 HA LYS A 31 -5.686 24.801 18.536 1.00 34.23 H new ATOM 0 HB2 LYS A 31 -4.700 24.160 16.402 1.00 63.11 H new ATOM 0 HB3 LYS A 31 -5.896 22.900 16.171 1.00 63.11 H new ATOM 0 HG2 LYS A 31 -6.982 25.645 16.555 1.00 1.55 H new ATOM 0 HG3 LYS A 31 -6.066 25.391 15.083 1.00 1.55 H new ATOM 0 HD2 LYS A 31 -7.569 23.164 14.969 1.00 43.41 H new ATOM 0 HD3 LYS A 31 -8.645 24.128 15.960 1.00 43.41 H new ATOM 0 HE2 LYS A 31 -7.527 25.572 13.621 1.00 4.33 H new ATOM 0 HE3 LYS A 31 -8.535 24.201 13.202 1.00 4.33 H new ATOM 0 HZ1 LYS A 31 -9.836 26.218 13.397 1.00 71.13 H new ATOM 0 HZ2 LYS A 31 -10.303 25.110 14.596 1.00 71.13 H new ATOM 0 HZ3 LYS A 31 -9.326 26.438 15.002 1.00 71.13 H new ATOM 343 N SER A 32 -7.925 22.396 18.156 1.00 14.50 N ATOM 344 CA SER A 32 -9.324 22.052 18.384 1.00 50.34 C ATOM 345 C SER A 32 -9.446 20.918 19.397 1.00 54.13 C ATOM 346 O SER A 32 -9.738 21.148 20.571 1.00 44.55 O ATOM 347 CB SER A 32 -9.993 21.650 17.068 1.00 41.23 C ATOM 348 OG SER A 32 -10.895 22.651 16.628 1.00 62.35 O ATOM 0 H SER A 32 -7.350 21.624 17.818 1.00 14.50 H new ATOM 0 HA SER A 32 -9.828 22.931 18.786 1.00 50.34 H new ATOM 0 HB2 SER A 32 -9.232 21.481 16.306 1.00 41.23 H new ATOM 0 HB3 SER A 32 -10.526 20.708 17.200 1.00 41.23 H new ATOM 0 HG SER A 32 -10.939 22.644 15.649 1.00 62.35 H new ATOM 354 N ARG A 33 -9.222 19.693 18.934 1.00 60.23 N ATOM 355 CA ARG A 33 -9.308 18.522 19.798 1.00 70.20 C ATOM 356 C ARG A 33 -9.074 17.241 19.003 1.00 62.23 C ATOM 357 O ARG A 33 -8.012 16.625 19.097 1.00 43.12 O ATOM 358 CB ARG A 33 -10.675 18.467 20.483 1.00 24.33 C ATOM 359 CG ARG A 33 -10.614 18.707 21.983 1.00 51.12 C ATOM 360 CD ARG A 33 -11.983 19.055 22.547 1.00 62.30 C ATOM 361 NE ARG A 33 -12.326 18.227 23.700 1.00 3.14 N ATOM 362 CZ ARG A 33 -13.349 18.481 24.509 1.00 60.44 C ATOM 363 NH1 ARG A 33 -14.126 19.533 24.290 1.00 22.41 N ATOM 364 NH2 ARG A 33 -13.597 17.681 25.538 1.00 72.43 N ATOM 0 H ARG A 33 -8.980 19.485 17.965 1.00 60.23 H new ATOM 0 HA ARG A 33 -8.531 18.604 20.558 1.00 70.20 H new ATOM 0 HB2 ARG A 33 -11.329 19.212 20.031 1.00 24.33 H new ATOM 0 HB3 ARG A 33 -11.126 17.492 20.297 1.00 24.33 H new ATOM 0 HG2 ARG A 33 -10.230 17.816 22.480 1.00 51.12 H new ATOM 0 HG3 ARG A 33 -9.915 19.516 22.195 1.00 51.12 H new ATOM 0 HD2 ARG A 33 -11.999 20.105 22.837 1.00 62.30 H new ATOM 0 HD3 ARG A 33 -12.738 18.927 21.771 1.00 62.30 H new ATOM 0 HE ARG A 33 -11.749 17.409 23.895 1.00 3.14 H new ATOM 0 HH11 ARG A 33 -13.939 20.149 23.499 1.00 22.41 H new ATOM 0 HH12 ARG A 33 -14.911 19.726 24.912 1.00 22.41 H new ATOM 0 HH21 ARG A 33 -13.002 16.870 25.709 1.00 72.43 H new ATOM 0 HH22 ARG A 33 -14.383 17.877 26.158 1.00 72.43 H new ATOM 378 N TYR A 34 -10.072 16.845 18.221 1.00 52.21 N ATOM 379 CA TYR A 34 -9.976 15.636 17.412 1.00 53.24 C ATOM 380 C TYR A 34 -10.695 15.815 16.078 1.00 44.14 C ATOM 381 O TYR A 34 -11.797 16.360 16.021 1.00 50.12 O ATOM 382 CB TYR A 34 -10.568 14.444 18.166 1.00 4.10 C ATOM 383 CG TYR A 34 -11.697 14.818 19.099 1.00 74.12 C ATOM 384 CD1 TYR A 34 -12.977 15.053 18.612 1.00 14.25 C ATOM 385 CD2 TYR A 34 -11.485 14.935 20.467 1.00 22.30 C ATOM 386 CE1 TYR A 34 -14.012 15.396 19.461 1.00 32.41 C ATOM 387 CE2 TYR A 34 -12.514 15.275 21.323 1.00 10.33 C ATOM 388 CZ TYR A 34 -13.776 15.505 20.816 1.00 43.25 C ATOM 389 OH TYR A 34 -14.804 15.845 21.664 1.00 32.33 O ATOM 0 H TYR A 34 -10.957 17.344 18.130 1.00 52.21 H new ATOM 0 HA TYR A 34 -8.921 15.445 17.214 1.00 53.24 H new ATOM 0 HB2 TYR A 34 -10.932 13.713 17.444 1.00 4.10 H new ATOM 0 HB3 TYR A 34 -9.778 13.960 18.741 1.00 4.10 H new ATOM 0 HD1 TYR A 34 -13.166 14.966 17.552 1.00 14.25 H new ATOM 0 HD2 TYR A 34 -10.498 14.757 20.868 1.00 22.30 H new ATOM 0 HE1 TYR A 34 -15.001 15.578 19.066 1.00 32.41 H new ATOM 0 HE2 TYR A 34 -12.332 15.360 22.384 1.00 10.33 H new ATOM 0 HH TYR A 34 -14.471 15.878 22.585 1.00 32.33 H new ATOM 399 N VAL A 35 -10.061 15.351 15.005 1.00 51.20 N ATOM 400 CA VAL A 35 -10.639 15.457 13.670 1.00 3.45 C ATOM 401 C VAL A 35 -10.650 14.105 12.967 1.00 22.12 C ATOM 402 O VAL A 35 -9.616 13.445 12.852 1.00 13.34 O ATOM 403 CB VAL A 35 -9.866 16.468 12.803 1.00 5.41 C ATOM 404 CG1 VAL A 35 -8.404 16.064 12.687 1.00 42.34 C ATOM 405 CG2 VAL A 35 -10.505 16.589 11.428 1.00 31.01 C ATOM 0 H VAL A 35 -9.147 14.898 15.034 1.00 51.20 H new ATOM 0 HA VAL A 35 -11.664 15.806 13.795 1.00 3.45 H new ATOM 0 HB VAL A 35 -9.911 17.444 13.286 1.00 5.41 H new ATOM 0 HG11 VAL A 35 -7.874 16.790 12.071 1.00 42.34 H new ATOM 0 HG12 VAL A 35 -7.955 16.034 13.680 1.00 42.34 H new ATOM 0 HG13 VAL A 35 -8.334 15.078 12.227 1.00 42.34 H new ATOM 0 HG21 VAL A 35 -9.946 17.308 10.829 1.00 31.01 H new ATOM 0 HG22 VAL A 35 -10.493 15.617 10.934 1.00 31.01 H new ATOM 0 HG23 VAL A 35 -11.535 16.929 11.534 1.00 31.01 H new ATOM 415 N ILE A 36 -11.824 13.698 12.498 1.00 73.12 N ATOM 416 CA ILE A 36 -11.969 12.424 11.804 1.00 54.30 C ATOM 417 C ILE A 36 -12.071 12.628 10.296 1.00 10.12 C ATOM 418 O ILE A 36 -12.866 13.439 9.822 1.00 70.24 O ATOM 419 CB ILE A 36 -13.212 11.656 12.292 1.00 62.23 C ATOM 420 CG1 ILE A 36 -13.304 11.709 13.818 1.00 74.30 C ATOM 421 CG2 ILE A 36 -13.166 10.214 11.808 1.00 54.11 C ATOM 422 CD1 ILE A 36 -14.495 10.962 14.377 1.00 14.43 C ATOM 0 H ILE A 36 -12.689 14.232 12.586 1.00 73.12 H new ATOM 0 HA ILE A 36 -11.078 11.838 12.030 1.00 54.30 H new ATOM 0 HB ILE A 36 -14.101 12.130 11.877 1.00 62.23 H new ATOM 0 HG12 ILE A 36 -12.391 11.292 14.244 1.00 74.30 H new ATOM 0 HG13 ILE A 36 -13.357 12.751 14.135 1.00 74.30 H new ATOM 0 HG21 ILE A 36 -14.051 9.684 12.160 1.00 54.11 H new ATOM 0 HG22 ILE A 36 -13.142 10.197 10.718 1.00 54.11 H new ATOM 0 HG23 ILE A 36 -12.272 9.728 12.198 1.00 54.11 H new ATOM 0 HD11 ILE A 36 -14.497 11.042 15.464 1.00 14.43 H new ATOM 0 HD12 ILE A 36 -15.414 11.393 13.980 1.00 14.43 H new ATOM 0 HD13 ILE A 36 -14.433 9.912 14.090 1.00 14.43 H new ATOM 434 N MET A 37 -11.261 11.885 9.548 1.00 15.53 N ATOM 435 CA MET A 37 -11.263 11.983 8.093 1.00 24.42 C ATOM 436 C MET A 37 -11.473 10.612 7.457 1.00 12.30 C ATOM 437 O MET A 37 -11.103 9.587 8.030 1.00 11.23 O ATOM 438 CB MET A 37 -9.948 12.590 7.600 1.00 1.13 C ATOM 439 CG MET A 37 -10.110 13.969 6.981 1.00 71.34 C ATOM 440 SD MET A 37 -10.417 15.251 8.210 1.00 12.22 S ATOM 441 CE MET A 37 -8.821 15.334 9.019 1.00 40.34 C ATOM 0 H MET A 37 -10.596 11.210 9.925 1.00 15.53 H new ATOM 0 HA MET A 37 -12.088 12.632 7.798 1.00 24.42 H new ATOM 0 HB2 MET A 37 -9.252 12.655 8.436 1.00 1.13 H new ATOM 0 HB3 MET A 37 -9.501 11.921 6.865 1.00 1.13 H new ATOM 0 HG2 MET A 37 -9.210 14.218 6.419 1.00 71.34 H new ATOM 0 HG3 MET A 37 -10.935 13.949 6.269 1.00 71.34 H new ATOM 0 HE1 MET A 37 -8.899 14.913 10.021 1.00 40.34 H new ATOM 0 HE2 MET A 37 -8.091 14.766 8.442 1.00 40.34 H new ATOM 0 HE3 MET A 37 -8.501 16.374 9.086 1.00 40.34 H new ATOM 451 N HIS A 38 -12.070 10.602 6.269 1.00 20.42 N ATOM 452 CA HIS A 38 -12.329 9.356 5.555 1.00 13.43 C ATOM 453 C HIS A 38 -11.879 9.460 4.101 1.00 14.11 C ATOM 454 O HIS A 38 -11.650 10.556 3.589 1.00 5.24 O ATOM 455 CB HIS A 38 -13.817 9.009 5.617 1.00 21.55 C ATOM 456 CG HIS A 38 -14.680 9.921 4.801 1.00 21.41 C ATOM 457 ND1 HIS A 38 -15.583 9.464 3.864 1.00 22.34 N ATOM 458 CD2 HIS A 38 -14.776 11.271 4.786 1.00 24.35 C ATOM 459 CE1 HIS A 38 -16.195 10.493 3.308 1.00 51.45 C ATOM 460 NE2 HIS A 38 -15.724 11.602 3.850 1.00 62.41 N ATOM 0 H HIS A 38 -12.383 11.441 5.781 1.00 20.42 H new ATOM 0 HA HIS A 38 -11.758 8.563 6.038 1.00 13.43 H new ATOM 0 HB2 HIS A 38 -13.957 7.985 5.272 1.00 21.55 H new ATOM 0 HB3 HIS A 38 -14.147 9.043 6.655 1.00 21.55 H new ATOM 0 HD2 HIS A 38 -14.212 11.960 5.397 1.00 24.35 H new ATOM 0 HE1 HIS A 38 -16.952 10.438 2.540 1.00 51.45 H new ATOM 0 HE2 HIS A 38 -16.017 12.550 3.612 1.00 62.41 H new ATOM 468 N ILE A 39 -11.755 8.313 3.442 1.00 12.01 N ATOM 469 CA ILE A 39 -11.333 8.276 2.047 1.00 32.34 C ATOM 470 C ILE A 39 -12.521 8.455 1.109 1.00 53.45 C ATOM 471 O ILE A 39 -13.512 7.730 1.198 1.00 52.43 O ATOM 472 CB ILE A 39 -10.622 6.952 1.710 1.00 50.14 C ATOM 473 CG1 ILE A 39 -9.588 6.614 2.786 1.00 40.43 C ATOM 474 CG2 ILE A 39 -9.962 7.040 0.342 1.00 62.42 C ATOM 475 CD1 ILE A 39 -8.853 5.317 2.532 1.00 74.33 C ATOM 0 H ILE A 39 -11.941 7.397 3.851 1.00 12.01 H new ATOM 0 HA ILE A 39 -10.634 9.101 1.906 1.00 32.34 H new ATOM 0 HB ILE A 39 -11.364 6.154 1.684 1.00 50.14 H new ATOM 0 HG12 ILE A 39 -8.864 7.426 2.850 1.00 40.43 H new ATOM 0 HG13 ILE A 39 -10.088 6.556 3.753 1.00 40.43 H new ATOM 0 HG21 ILE A 39 -9.463 6.097 0.117 1.00 62.42 H new ATOM 0 HG22 ILE A 39 -10.720 7.239 -0.416 1.00 62.42 H new ATOM 0 HG23 ILE A 39 -9.229 7.847 0.343 1.00 62.42 H new ATOM 0 HD11 ILE A 39 -8.136 5.142 3.334 1.00 74.33 H new ATOM 0 HD12 ILE A 39 -9.568 4.495 2.497 1.00 74.33 H new ATOM 0 HD13 ILE A 39 -8.324 5.379 1.581 1.00 74.33 H new ATOM 487 N VAL A 40 -12.414 9.426 0.207 1.00 53.14 N ATOM 488 CA VAL A 40 -13.478 9.700 -0.752 1.00 35.22 C ATOM 489 C VAL A 40 -13.056 9.318 -2.166 1.00 42.51 C ATOM 490 O VAL A 40 -12.001 9.736 -2.644 1.00 3.15 O ATOM 491 CB VAL A 40 -13.883 11.186 -0.732 1.00 33.32 C ATOM 492 CG1 VAL A 40 -14.943 11.465 -1.786 1.00 74.23 C ATOM 493 CG2 VAL A 40 -14.377 11.585 0.651 1.00 62.52 C ATOM 0 H VAL A 40 -11.601 10.036 0.120 1.00 53.14 H new ATOM 0 HA VAL A 40 -14.334 9.094 -0.456 1.00 35.22 H new ATOM 0 HB VAL A 40 -13.004 11.787 -0.967 1.00 33.32 H new ATOM 0 HG11 VAL A 40 -15.216 12.520 -1.757 1.00 74.23 H new ATOM 0 HG12 VAL A 40 -14.549 11.220 -2.772 1.00 74.23 H new ATOM 0 HG13 VAL A 40 -15.824 10.856 -1.586 1.00 74.23 H new ATOM 0 HG21 VAL A 40 -14.659 12.638 0.647 1.00 62.52 H new ATOM 0 HG22 VAL A 40 -15.243 10.979 0.917 1.00 62.52 H new ATOM 0 HG23 VAL A 40 -13.584 11.425 1.381 1.00 62.52 H new ATOM 503 N ASP A 41 -13.886 8.523 -2.831 1.00 52.35 N ATOM 504 CA ASP A 41 -13.600 8.086 -4.193 1.00 2.20 C ATOM 505 C ASP A 41 -12.331 7.241 -4.237 1.00 24.13 C ATOM 506 O ASP A 41 -11.760 7.017 -5.304 1.00 31.23 O ATOM 507 CB ASP A 41 -13.455 9.294 -5.119 1.00 41.54 C ATOM 508 CG ASP A 41 -14.170 9.099 -6.442 1.00 22.10 C ATOM 509 OD1 ASP A 41 -14.337 7.934 -6.860 1.00 35.24 O ATOM 510 OD2 ASP A 41 -14.562 10.111 -7.059 1.00 73.10 O ATOM 0 H ASP A 41 -14.763 8.168 -2.449 1.00 52.35 H new ATOM 0 HA ASP A 41 -14.435 7.474 -4.535 1.00 2.20 H new ATOM 0 HB2 ASP A 41 -13.852 10.179 -4.622 1.00 41.54 H new ATOM 0 HB3 ASP A 41 -12.397 9.481 -5.305 1.00 41.54 H new ATOM 515 N GLN A 42 -11.895 6.776 -3.070 1.00 42.22 N ATOM 516 CA GLN A 42 -10.692 5.957 -2.976 1.00 40.41 C ATOM 517 C GLN A 42 -9.538 6.595 -3.743 1.00 71.32 C ATOM 518 O GLN A 42 -8.693 5.899 -4.306 1.00 71.44 O ATOM 519 CB GLN A 42 -10.963 4.552 -3.515 1.00 31.55 C ATOM 520 CG GLN A 42 -12.283 3.964 -3.043 1.00 74.41 C ATOM 521 CD GLN A 42 -12.459 2.516 -3.459 1.00 14.50 C ATOM 522 OE1 GLN A 42 -11.759 2.023 -4.343 1.00 61.03 O ATOM 523 NE2 GLN A 42 -13.399 1.827 -2.822 1.00 3.22 N ATOM 0 H GLN A 42 -12.356 6.952 -2.178 1.00 42.22 H new ATOM 0 HA GLN A 42 -10.411 5.887 -1.925 1.00 40.41 H new ATOM 0 HB2 GLN A 42 -10.957 4.582 -4.605 1.00 31.55 H new ATOM 0 HB3 GLN A 42 -10.151 3.892 -3.210 1.00 31.55 H new ATOM 0 HG2 GLN A 42 -12.341 4.036 -1.957 1.00 74.41 H new ATOM 0 HG3 GLN A 42 -13.105 4.556 -3.446 1.00 74.41 H new ATOM 0 HE21 GLN A 42 -13.956 2.276 -2.095 1.00 3.22 H new ATOM 0 HE22 GLN A 42 -13.564 0.849 -3.060 1.00 3.22 H new ATOM 532 N LYS A 43 -9.509 7.923 -3.762 1.00 23.14 N ATOM 533 CA LYS A 43 -8.458 8.656 -4.459 1.00 34.23 C ATOM 534 C LYS A 43 -8.126 9.954 -3.730 1.00 45.03 C ATOM 535 O LYS A 43 -6.960 10.334 -3.621 1.00 41.20 O ATOM 536 CB LYS A 43 -8.888 8.961 -5.895 1.00 71.55 C ATOM 537 CG LYS A 43 -7.750 8.887 -6.899 1.00 54.51 C ATOM 538 CD LYS A 43 -8.129 9.536 -8.220 1.00 34.20 C ATOM 539 CE LYS A 43 -8.716 8.522 -9.190 1.00 50.14 C ATOM 540 NZ LYS A 43 -9.121 9.155 -10.476 1.00 14.01 N ATOM 0 H LYS A 43 -10.202 8.514 -3.303 1.00 23.14 H new ATOM 0 HA LYS A 43 -7.565 8.032 -4.478 1.00 34.23 H new ATOM 0 HB2 LYS A 43 -9.667 8.258 -6.189 1.00 71.55 H new ATOM 0 HB3 LYS A 43 -9.328 9.958 -5.930 1.00 71.55 H new ATOM 0 HG2 LYS A 43 -6.869 9.381 -6.489 1.00 54.51 H new ATOM 0 HG3 LYS A 43 -7.480 7.845 -7.069 1.00 54.51 H new ATOM 0 HD2 LYS A 43 -8.852 10.332 -8.042 1.00 34.20 H new ATOM 0 HD3 LYS A 43 -7.248 10.000 -8.665 1.00 34.20 H new ATOM 0 HE2 LYS A 43 -7.983 7.740 -9.385 1.00 50.14 H new ATOM 0 HE3 LYS A 43 -9.581 8.041 -8.733 1.00 50.14 H new ATOM 0 HZ1 LYS A 43 -9.516 8.431 -11.110 1.00 14.01 H new ATOM 0 HZ2 LYS A 43 -9.839 9.884 -10.293 1.00 14.01 H new ATOM 0 HZ3 LYS A 43 -8.291 9.592 -10.925 1.00 14.01 H new ATOM 554 N SER A 44 -9.157 10.629 -3.232 1.00 44.24 N ATOM 555 CA SER A 44 -8.973 11.886 -2.516 1.00 52.02 C ATOM 556 C SER A 44 -9.574 11.806 -1.116 1.00 42.00 C ATOM 557 O SER A 44 -10.739 11.445 -0.949 1.00 12.34 O ATOM 558 CB SER A 44 -9.613 13.038 -3.293 1.00 13.20 C ATOM 559 OG SER A 44 -8.768 13.478 -4.342 1.00 3.25 O ATOM 0 H SER A 44 -10.128 10.327 -3.311 1.00 44.24 H new ATOM 0 HA SER A 44 -7.903 12.070 -2.423 1.00 52.02 H new ATOM 0 HB2 SER A 44 -10.570 12.716 -3.704 1.00 13.20 H new ATOM 0 HB3 SER A 44 -9.819 13.867 -2.616 1.00 13.20 H new ATOM 0 HG SER A 44 -9.201 14.213 -4.824 1.00 3.25 H new ATOM 565 N ILE A 45 -8.770 12.145 -0.114 1.00 63.10 N ATOM 566 CA ILE A 45 -9.221 12.113 1.272 1.00 72.25 C ATOM 567 C ILE A 45 -10.015 13.367 1.620 1.00 10.23 C ATOM 568 O ILE A 45 -9.584 14.485 1.340 1.00 63.05 O ATOM 569 CB ILE A 45 -8.037 11.981 2.247 1.00 64.22 C ATOM 570 CG1 ILE A 45 -7.091 10.870 1.787 1.00 64.40 C ATOM 571 CG2 ILE A 45 -8.539 11.707 3.656 1.00 30.44 C ATOM 572 CD1 ILE A 45 -7.723 9.496 1.795 1.00 33.43 C ATOM 0 H ILE A 45 -7.803 12.445 -0.236 1.00 63.10 H new ATOM 0 HA ILE A 45 -9.864 11.239 1.375 1.00 72.25 H new ATOM 0 HB ILE A 45 -7.486 12.921 2.256 1.00 64.22 H new ATOM 0 HG12 ILE A 45 -6.743 11.095 0.779 1.00 64.40 H new ATOM 0 HG13 ILE A 45 -6.213 10.861 2.433 1.00 64.40 H new ATOM 0 HG21 ILE A 45 -7.690 11.616 4.334 1.00 30.44 H new ATOM 0 HG22 ILE A 45 -9.177 12.529 3.981 1.00 30.44 H new ATOM 0 HG23 ILE A 45 -9.111 10.779 3.665 1.00 30.44 H new ATOM 0 HD11 ILE A 45 -6.995 8.759 1.458 1.00 33.43 H new ATOM 0 HD12 ILE A 45 -8.046 9.250 2.806 1.00 33.43 H new ATOM 0 HD13 ILE A 45 -8.584 9.488 1.127 1.00 33.43 H new ATOM 584 N ALA A 46 -11.177 13.174 2.236 1.00 61.52 N ATOM 585 CA ALA A 46 -12.029 14.289 2.627 1.00 54.21 C ATOM 586 C ALA A 46 -12.474 14.157 4.080 1.00 51.44 C ATOM 587 O ALA A 46 -12.347 13.092 4.684 1.00 12.40 O ATOM 588 CB ALA A 46 -13.239 14.376 1.708 1.00 13.24 C ATOM 0 H ALA A 46 -11.549 12.255 2.475 1.00 61.52 H new ATOM 0 HA ALA A 46 -11.449 15.207 2.534 1.00 54.21 H new ATOM 0 HB1 ALA A 46 -13.867 15.214 2.012 1.00 13.24 H new ATOM 0 HB2 ALA A 46 -12.906 14.526 0.681 1.00 13.24 H new ATOM 0 HB3 ALA A 46 -13.812 13.451 1.772 1.00 13.24 H new ATOM 594 N VAL A 47 -12.995 15.247 4.635 1.00 34.43 N ATOM 595 CA VAL A 47 -13.459 15.252 6.018 1.00 53.45 C ATOM 596 C VAL A 47 -14.847 14.632 6.134 1.00 20.10 C ATOM 597 O VAL A 47 -15.722 14.880 5.305 1.00 53.54 O ATOM 598 CB VAL A 47 -13.498 16.682 6.591 1.00 73.45 C ATOM 599 CG1 VAL A 47 -14.408 17.568 5.754 1.00 72.12 C ATOM 600 CG2 VAL A 47 -13.949 16.661 8.043 1.00 35.41 C ATOM 0 H VAL A 47 -13.106 16.137 4.149 1.00 34.43 H new ATOM 0 HA VAL A 47 -12.749 14.657 6.593 1.00 53.45 H new ATOM 0 HB VAL A 47 -12.491 17.098 6.553 1.00 73.45 H new ATOM 0 HG11 VAL A 47 -14.423 18.574 6.174 1.00 72.12 H new ATOM 0 HG12 VAL A 47 -14.036 17.608 4.730 1.00 72.12 H new ATOM 0 HG13 VAL A 47 -15.418 17.158 5.757 1.00 72.12 H new ATOM 0 HG21 VAL A 47 -13.971 17.679 8.432 1.00 35.41 H new ATOM 0 HG22 VAL A 47 -14.946 16.226 8.108 1.00 35.41 H new ATOM 0 HG23 VAL A 47 -13.253 16.063 8.631 1.00 35.41 H new ATOM 610 N LYS A 48 -15.042 13.823 7.170 1.00 72.23 N ATOM 611 CA LYS A 48 -16.324 13.167 7.398 1.00 72.22 C ATOM 612 C LYS A 48 -17.061 13.805 8.571 1.00 22.23 C ATOM 613 O LYS A 48 -18.241 14.142 8.468 1.00 4.42 O ATOM 614 CB LYS A 48 -16.116 11.674 7.663 1.00 34.02 C ATOM 615 CG LYS A 48 -17.101 10.782 6.926 1.00 2.44 C ATOM 616 CD LYS A 48 -18.364 10.555 7.740 1.00 61.21 C ATOM 617 CE LYS A 48 -19.610 10.931 6.952 1.00 25.12 C ATOM 618 NZ LYS A 48 -20.764 11.222 7.846 1.00 33.33 N ATOM 0 H LYS A 48 -14.328 13.606 7.865 1.00 72.23 H new ATOM 0 HA LYS A 48 -16.931 13.289 6.501 1.00 72.22 H new ATOM 0 HB2 LYS A 48 -15.102 11.400 7.372 1.00 34.02 H new ATOM 0 HB3 LYS A 48 -16.201 11.488 8.734 1.00 34.02 H new ATOM 0 HG2 LYS A 48 -17.360 11.237 5.970 1.00 2.44 H new ATOM 0 HG3 LYS A 48 -16.631 9.823 6.706 1.00 2.44 H new ATOM 0 HD2 LYS A 48 -18.423 9.508 8.038 1.00 61.21 H new ATOM 0 HD3 LYS A 48 -18.319 11.145 8.655 1.00 61.21 H new ATOM 0 HE2 LYS A 48 -19.400 11.804 6.335 1.00 25.12 H new ATOM 0 HE3 LYS A 48 -19.871 10.117 6.275 1.00 25.12 H new ATOM 0 HZ1 LYS A 48 -21.593 11.474 7.271 1.00 33.33 H new ATOM 0 HZ2 LYS A 48 -20.981 10.381 8.417 1.00 33.33 H new ATOM 0 HZ3 LYS A 48 -20.525 12.015 8.475 1.00 33.33 H new ATOM 632 N THR A 49 -16.357 13.969 9.687 1.00 31.13 N ATOM 633 CA THR A 49 -16.944 14.567 10.880 1.00 61.31 C ATOM 634 C THR A 49 -15.864 15.053 11.840 1.00 61.53 C ATOM 635 O THR A 49 -15.132 14.251 12.422 1.00 14.54 O ATOM 636 CB THR A 49 -17.858 13.570 11.616 1.00 34.52 C ATOM 637 OG1 THR A 49 -18.954 13.195 10.773 1.00 23.14 O ATOM 638 CG2 THR A 49 -18.389 14.174 12.907 1.00 30.25 C ATOM 0 H THR A 49 -15.380 13.696 9.789 1.00 31.13 H new ATOM 0 HA THR A 49 -17.539 15.417 10.547 1.00 61.31 H new ATOM 0 HB THR A 49 -17.270 12.686 11.862 1.00 34.52 H new ATOM 0 HG1 THR A 49 -18.967 13.769 9.979 1.00 23.14 H new ATOM 0 HG21 THR A 49 -19.032 13.451 13.409 1.00 30.25 H new ATOM 0 HG22 THR A 49 -17.554 14.431 13.559 1.00 30.25 H new ATOM 0 HG23 THR A 49 -18.962 15.073 12.679 1.00 30.25 H new ATOM 646 N ILE A 50 -15.770 16.368 12.000 1.00 2.11 N ATOM 647 CA ILE A 50 -14.780 16.960 12.891 1.00 24.43 C ATOM 648 C ILE A 50 -15.378 17.246 14.265 1.00 65.04 C ATOM 649 O ILE A 50 -16.562 17.556 14.385 1.00 30.33 O ATOM 650 CB ILE A 50 -14.208 18.266 12.310 1.00 13.40 C ATOM 651 CG1 ILE A 50 -13.023 18.748 13.149 1.00 13.34 C ATOM 652 CG2 ILE A 50 -15.289 19.335 12.247 1.00 12.20 C ATOM 653 CD1 ILE A 50 -12.079 19.658 12.395 1.00 22.21 C ATOM 0 H ILE A 50 -16.367 17.044 11.524 1.00 2.11 H new ATOM 0 HA ILE A 50 -13.973 16.234 12.992 1.00 24.43 H new ATOM 0 HB ILE A 50 -13.856 18.072 11.297 1.00 13.40 H new ATOM 0 HG12 ILE A 50 -13.400 19.275 14.026 1.00 13.34 H new ATOM 0 HG13 ILE A 50 -12.468 17.882 13.511 1.00 13.34 H new ATOM 0 HG21 ILE A 50 -14.870 20.253 11.834 1.00 12.20 H new ATOM 0 HG22 ILE A 50 -16.105 18.991 11.611 1.00 12.20 H new ATOM 0 HG23 ILE A 50 -15.668 19.529 13.250 1.00 12.20 H new ATOM 0 HD11 ILE A 50 -11.263 19.961 13.052 1.00 22.21 H new ATOM 0 HD12 ILE A 50 -11.674 19.128 11.533 1.00 22.21 H new ATOM 0 HD13 ILE A 50 -12.619 20.542 12.056 1.00 22.21 H new ATOM 665 N GLY A 51 -14.548 17.142 15.299 1.00 72.33 N ATOM 666 CA GLY A 51 -15.012 17.394 16.650 1.00 14.23 C ATOM 667 C GLY A 51 -14.895 18.854 17.040 1.00 11.33 C ATOM 668 O GLY A 51 -15.901 19.522 17.278 1.00 21.03 O ATOM 0 H GLY A 51 -13.563 16.888 15.224 1.00 72.33 H new ATOM 0 HA2 GLY A 51 -16.052 17.080 16.738 1.00 14.23 H new ATOM 0 HA3 GLY A 51 -14.435 16.787 17.348 1.00 14.23 H new ATOM 672 N GLU A 52 -13.663 19.350 17.107 1.00 15.34 N ATOM 673 CA GLU A 52 -13.419 20.740 17.474 1.00 14.32 C ATOM 674 C GLU A 52 -14.366 21.184 18.585 1.00 14.15 C ATOM 675 O GLU A 52 -14.956 22.263 18.519 1.00 74.42 O ATOM 676 CB GLU A 52 -13.585 21.649 16.255 1.00 51.44 C ATOM 677 CG GLU A 52 -14.979 21.610 15.651 1.00 61.11 C ATOM 678 CD GLU A 52 -15.234 22.761 14.697 1.00 34.31 C ATOM 679 OE1 GLU A 52 -14.252 23.349 14.200 1.00 2.51 O ATOM 680 OE2 GLU A 52 -16.418 23.072 14.448 1.00 41.04 O ATOM 0 H GLU A 52 -12.820 18.810 16.912 1.00 15.34 H new ATOM 0 HA GLU A 52 -12.395 20.818 17.840 1.00 14.32 H new ATOM 0 HB2 GLU A 52 -13.351 22.674 16.542 1.00 51.44 H new ATOM 0 HB3 GLU A 52 -12.860 21.358 15.494 1.00 51.44 H new ATOM 0 HG2 GLU A 52 -15.115 20.667 15.121 1.00 61.11 H new ATOM 0 HG3 GLU A 52 -15.719 21.636 16.451 1.00 61.11 H new ATOM 687 N ARG A 53 -14.507 20.344 19.606 1.00 43.22 N ATOM 688 CA ARG A 53 -15.383 20.648 20.731 1.00 42.23 C ATOM 689 C ARG A 53 -16.837 20.738 20.278 1.00 34.43 C ATOM 690 O ARG A 53 -17.510 21.741 20.510 1.00 2.33 O ATOM 691 CB ARG A 53 -14.962 21.962 21.392 1.00 23.32 C ATOM 692 CG ARG A 53 -13.465 22.069 21.634 1.00 10.32 C ATOM 693 CD ARG A 53 -12.846 23.187 20.809 1.00 72.31 C ATOM 694 NE ARG A 53 -13.186 24.507 21.333 1.00 72.11 N ATOM 695 CZ ARG A 53 -12.889 25.643 20.712 1.00 61.11 C ATOM 696 NH1 ARG A 53 -12.249 25.620 19.551 1.00 74.23 N ATOM 697 NH2 ARG A 53 -13.232 26.805 21.252 1.00 2.24 N ATOM 0 H ARG A 53 -14.026 19.448 19.677 1.00 43.22 H new ATOM 0 HA ARG A 53 -15.295 19.839 21.457 1.00 42.23 H new ATOM 0 HB2 ARG A 53 -15.280 22.794 20.763 1.00 23.32 H new ATOM 0 HB3 ARG A 53 -15.484 22.064 22.344 1.00 23.32 H new ATOM 0 HG2 ARG A 53 -13.278 22.250 22.693 1.00 10.32 H new ATOM 0 HG3 ARG A 53 -12.986 21.122 21.383 1.00 10.32 H new ATOM 0 HD2 ARG A 53 -11.762 23.070 20.796 1.00 72.31 H new ATOM 0 HD3 ARG A 53 -13.188 23.108 19.777 1.00 72.31 H new ATOM 0 HE ARG A 53 -13.679 24.560 22.225 1.00 72.11 H new ATOM 0 HH11 ARG A 53 -11.984 24.728 19.133 1.00 74.23 H new ATOM 0 HH12 ARG A 53 -12.022 26.494 19.076 1.00 74.23 H new ATOM 0 HH21 ARG A 53 -13.724 26.827 22.145 1.00 2.24 H new ATOM 0 HH22 ARG A 53 -13.003 27.677 20.774 1.00 2.24 H new ATOM 711 N GLY A 54 -17.316 19.680 19.630 1.00 35.13 N ATOM 712 CA GLY A 54 -18.687 19.660 19.155 1.00 35.50 C ATOM 713 C GLY A 54 -19.214 18.251 18.965 1.00 72.05 C ATOM 714 O GLY A 54 -20.377 17.972 19.254 1.00 73.33 O ATOM 0 H GLY A 54 -16.779 18.837 19.426 1.00 35.13 H new ATOM 0 HA2 GLY A 54 -19.322 20.190 19.865 1.00 35.50 H new ATOM 0 HA3 GLY A 54 -18.749 20.198 18.209 1.00 35.50 H new ATOM 718 N ALA A 55 -18.357 17.361 18.475 1.00 42.51 N ATOM 719 CA ALA A 55 -18.742 15.974 18.246 1.00 13.43 C ATOM 720 C ALA A 55 -19.074 15.273 19.559 1.00 4.22 C ATOM 721 O ALA A 55 -18.210 15.105 20.419 1.00 10.31 O ATOM 722 CB ALA A 55 -17.634 15.232 17.514 1.00 2.35 C ATOM 0 H ALA A 55 -17.391 17.576 18.229 1.00 42.51 H new ATOM 0 HA ALA A 55 -19.638 15.969 17.625 1.00 13.43 H new ATOM 0 HB1 ALA A 55 -17.936 14.197 17.350 1.00 2.35 H new ATOM 0 HB2 ALA A 55 -17.447 15.712 16.553 1.00 2.35 H new ATOM 0 HB3 ALA A 55 -16.724 15.254 18.113 1.00 2.35 H new ATOM 728 N ASN A 56 -20.330 14.867 19.707 1.00 73.52 N ATOM 729 CA ASN A 56 -20.776 14.184 20.916 1.00 1.44 C ATOM 730 C ASN A 56 -20.603 12.674 20.784 1.00 0.33 C ATOM 731 O ASN A 56 -20.170 12.177 19.745 1.00 71.34 O ATOM 732 CB ASN A 56 -22.241 14.518 21.205 1.00 60.12 C ATOM 733 CG ASN A 56 -22.470 14.912 22.651 1.00 34.32 C ATOM 734 OD1 ASN A 56 -22.208 16.048 23.046 1.00 71.01 O ATOM 735 ND2 ASN A 56 -22.962 13.971 23.449 1.00 13.34 N ATOM 0 H ASN A 56 -21.058 14.999 19.005 1.00 73.52 H new ATOM 0 HA ASN A 56 -20.161 14.531 21.746 1.00 1.44 H new ATOM 0 HB2 ASN A 56 -22.560 15.332 20.555 1.00 60.12 H new ATOM 0 HB3 ASN A 56 -22.862 13.655 20.964 1.00 60.12 H new ATOM 0 HD21 ASN A 56 -23.137 14.177 24.432 1.00 13.34 H new ATOM 0 HD22 ASN A 56 -23.164 13.043 23.078 1.00 13.34 H new ATOM 742 N PHE A 57 -20.945 11.950 21.845 1.00 42.12 N ATOM 743 CA PHE A 57 -20.827 10.497 21.848 1.00 33.41 C ATOM 744 C PHE A 57 -21.821 9.868 20.875 1.00 44.41 C ATOM 745 O PHE A 57 -21.484 8.940 20.140 1.00 24.22 O ATOM 746 CB PHE A 57 -21.060 9.948 23.257 1.00 15.13 C ATOM 747 CG PHE A 57 -19.812 9.432 23.914 1.00 0.30 C ATOM 748 CD1 PHE A 57 -18.943 10.299 24.557 1.00 31.03 C ATOM 749 CD2 PHE A 57 -19.508 8.081 23.889 1.00 65.15 C ATOM 750 CE1 PHE A 57 -17.793 9.827 25.162 1.00 72.14 C ATOM 751 CE2 PHE A 57 -18.359 7.603 24.491 1.00 32.05 C ATOM 752 CZ PHE A 57 -17.502 8.477 25.130 1.00 44.23 C ATOM 0 H PHE A 57 -21.306 12.346 22.713 1.00 42.12 H new ATOM 0 HA PHE A 57 -19.818 10.239 21.527 1.00 33.41 H new ATOM 0 HB2 PHE A 57 -21.489 10.734 23.878 1.00 15.13 H new ATOM 0 HB3 PHE A 57 -21.794 9.144 23.208 1.00 15.13 H new ATOM 0 HD1 PHE A 57 -19.167 11.355 24.586 1.00 31.03 H new ATOM 0 HD2 PHE A 57 -20.177 7.393 23.393 1.00 65.15 H new ATOM 0 HE1 PHE A 57 -17.123 10.513 25.659 1.00 72.14 H new ATOM 0 HE2 PHE A 57 -18.132 6.548 24.462 1.00 32.05 H new ATOM 0 HZ PHE A 57 -16.605 8.106 25.604 1.00 44.23 H new ATOM 762 N ASP A 58 -23.046 10.382 20.876 1.00 20.54 N ATOM 763 CA ASP A 58 -24.089 9.872 19.994 1.00 53.21 C ATOM 764 C ASP A 58 -23.760 10.170 18.535 1.00 63.15 C ATOM 765 O ASP A 58 -23.955 9.326 17.660 1.00 13.23 O ATOM 766 CB ASP A 58 -25.441 10.486 20.360 1.00 53.50 C ATOM 767 CG ASP A 58 -26.436 9.450 20.845 1.00 42.01 C ATOM 768 OD1 ASP A 58 -26.440 9.155 22.058 1.00 30.40 O ATOM 769 OD2 ASP A 58 -27.209 8.934 20.011 1.00 34.31 O ATOM 0 H ASP A 58 -23.341 11.151 21.478 1.00 20.54 H new ATOM 0 HA ASP A 58 -24.143 8.791 20.122 1.00 53.21 H new ATOM 0 HB2 ASP A 58 -25.297 11.238 21.136 1.00 53.50 H new ATOM 0 HB3 ASP A 58 -25.851 11.000 19.490 1.00 53.50 H new ATOM 774 N GLN A 59 -23.260 11.375 18.280 1.00 70.11 N ATOM 775 CA GLN A 59 -22.905 11.784 16.926 1.00 74.20 C ATOM 776 C GLN A 59 -21.614 11.109 16.474 1.00 14.21 C ATOM 777 O GLN A 59 -21.425 10.840 15.288 1.00 60.52 O ATOM 778 CB GLN A 59 -22.753 13.304 16.853 1.00 1.11 C ATOM 779 CG GLN A 59 -24.050 14.058 17.097 1.00 53.03 C ATOM 780 CD GLN A 59 -24.310 15.125 16.052 1.00 41.40 C ATOM 781 OE1 GLN A 59 -24.727 14.827 14.933 1.00 75.52 O ATOM 782 NE2 GLN A 59 -24.064 16.379 16.413 1.00 43.54 N ATOM 0 H GLN A 59 -23.092 12.085 18.993 1.00 70.11 H new ATOM 0 HA GLN A 59 -23.708 11.474 16.258 1.00 74.20 H new ATOM 0 HB2 GLN A 59 -22.014 13.622 17.588 1.00 1.11 H new ATOM 0 HB3 GLN A 59 -22.364 13.575 15.871 1.00 1.11 H new ATOM 0 HG2 GLN A 59 -24.880 13.352 17.104 1.00 53.03 H new ATOM 0 HG3 GLN A 59 -24.017 14.521 18.083 1.00 53.03 H new ATOM 0 HE21 GLN A 59 -23.719 16.581 17.351 1.00 43.54 H new ATOM 0 HE22 GLN A 59 -24.220 17.140 15.752 1.00 43.54 H new ATOM 791 N PHE A 60 -20.729 10.839 17.427 1.00 3.33 N ATOM 792 CA PHE A 60 -19.454 10.197 17.127 1.00 12.32 C ATOM 793 C PHE A 60 -19.663 8.747 16.701 1.00 40.13 C ATOM 794 O PHE A 60 -19.081 8.288 15.717 1.00 2.43 O ATOM 795 CB PHE A 60 -18.531 10.254 18.346 1.00 44.53 C ATOM 796 CG PHE A 60 -17.296 9.411 18.202 1.00 32.14 C ATOM 797 CD1 PHE A 60 -16.279 9.789 17.341 1.00 70.22 C ATOM 798 CD2 PHE A 60 -17.153 8.240 18.929 1.00 72.32 C ATOM 799 CE1 PHE A 60 -15.141 9.015 17.207 1.00 55.12 C ATOM 800 CE2 PHE A 60 -16.018 7.462 18.799 1.00 0.33 C ATOM 801 CZ PHE A 60 -15.011 7.850 17.936 1.00 34.34 C ATOM 0 H PHE A 60 -20.871 11.055 18.414 1.00 3.33 H new ATOM 0 HA PHE A 60 -18.989 10.737 16.302 1.00 12.32 H new ATOM 0 HB2 PHE A 60 -18.237 11.289 18.521 1.00 44.53 H new ATOM 0 HB3 PHE A 60 -19.084 9.927 19.226 1.00 44.53 H new ATOM 0 HD1 PHE A 60 -16.376 10.699 16.768 1.00 70.22 H new ATOM 0 HD2 PHE A 60 -17.937 7.932 19.605 1.00 72.32 H new ATOM 0 HE1 PHE A 60 -14.355 9.322 16.533 1.00 55.12 H new ATOM 0 HE2 PHE A 60 -15.918 6.552 19.371 1.00 0.33 H new ATOM 0 HZ PHE A 60 -14.124 7.243 17.832 1.00 34.34 H new ATOM 811 N ILE A 61 -20.497 8.031 17.448 1.00 44.32 N ATOM 812 CA ILE A 61 -20.783 6.634 17.147 1.00 23.13 C ATOM 813 C ILE A 61 -21.684 6.508 15.924 1.00 53.10 C ATOM 814 O ILE A 61 -21.449 5.674 15.051 1.00 22.50 O ATOM 815 CB ILE A 61 -21.453 5.928 18.340 1.00 34.53 C ATOM 816 CG1 ILE A 61 -20.543 5.980 19.569 1.00 34.42 C ATOM 817 CG2 ILE A 61 -21.788 4.487 17.983 1.00 50.11 C ATOM 818 CD1 ILE A 61 -19.249 5.217 19.395 1.00 21.33 C ATOM 0 H ILE A 61 -20.986 8.395 18.266 1.00 44.32 H new ATOM 0 HA ILE A 61 -19.827 6.153 16.941 1.00 23.13 H new ATOM 0 HB ILE A 61 -22.381 6.449 18.576 1.00 34.53 H new ATOM 0 HG12 ILE A 61 -20.314 7.021 19.798 1.00 34.42 H new ATOM 0 HG13 ILE A 61 -21.081 5.576 20.427 1.00 34.42 H new ATOM 0 HG21 ILE A 61 -22.261 4.001 18.836 1.00 50.11 H new ATOM 0 HG22 ILE A 61 -22.470 4.472 17.133 1.00 50.11 H new ATOM 0 HG23 ILE A 61 -20.873 3.954 17.724 1.00 50.11 H new ATOM 0 HD11 ILE A 61 -18.654 5.297 20.305 1.00 21.33 H new ATOM 0 HD12 ILE A 61 -19.469 4.168 19.197 1.00 21.33 H new ATOM 0 HD13 ILE A 61 -18.690 5.635 18.558 1.00 21.33 H new ATOM 830 N GLU A 62 -22.716 7.344 15.868 1.00 52.34 N ATOM 831 CA GLU A 62 -23.653 7.327 14.750 1.00 64.41 C ATOM 832 C GLU A 62 -22.942 7.652 13.439 1.00 23.43 C ATOM 833 O GLU A 62 -23.215 7.043 12.405 1.00 24.23 O ATOM 834 CB GLU A 62 -24.786 8.326 14.989 1.00 11.25 C ATOM 835 CG GLU A 62 -25.901 8.240 13.961 1.00 33.32 C ATOM 836 CD GLU A 62 -27.263 8.554 14.550 1.00 50.24 C ATOM 837 OE1 GLU A 62 -27.569 8.041 15.646 1.00 72.01 O ATOM 838 OE2 GLU A 62 -28.022 9.314 13.913 1.00 55.41 O ATOM 0 H GLU A 62 -22.925 8.041 16.583 1.00 52.34 H new ATOM 0 HA GLU A 62 -24.073 6.324 14.677 1.00 64.41 H new ATOM 0 HB2 GLU A 62 -25.204 8.157 15.981 1.00 11.25 H new ATOM 0 HB3 GLU A 62 -24.376 9.336 14.984 1.00 11.25 H new ATOM 0 HG2 GLU A 62 -25.693 8.933 13.146 1.00 33.32 H new ATOM 0 HG3 GLU A 62 -25.917 7.239 13.531 1.00 33.32 H new ATOM 845 N ALA A 63 -22.029 8.616 13.492 1.00 41.24 N ATOM 846 CA ALA A 63 -21.278 9.022 12.310 1.00 25.32 C ATOM 847 C ALA A 63 -20.257 7.959 11.917 1.00 4.24 C ATOM 848 O ALA A 63 -20.201 7.536 10.762 1.00 4.04 O ATOM 849 CB ALA A 63 -20.587 10.355 12.556 1.00 63.10 C ATOM 0 H ALA A 63 -21.791 9.130 14.340 1.00 41.24 H new ATOM 0 HA ALA A 63 -21.981 9.137 11.485 1.00 25.32 H new ATOM 0 HB1 ALA A 63 -20.030 10.646 11.665 1.00 63.10 H new ATOM 0 HB2 ALA A 63 -21.334 11.116 12.781 1.00 63.10 H new ATOM 0 HB3 ALA A 63 -19.901 10.259 13.398 1.00 63.10 H new ATOM 855 N ILE A 64 -19.451 7.533 12.884 1.00 12.15 N ATOM 856 CA ILE A 64 -18.433 6.520 12.639 1.00 62.23 C ATOM 857 C ILE A 64 -19.061 5.143 12.452 1.00 30.11 C ATOM 858 O ILE A 64 -19.806 4.668 13.310 1.00 64.43 O ATOM 859 CB ILE A 64 -17.414 6.455 13.791 1.00 24.35 C ATOM 860 CG1 ILE A 64 -16.723 7.809 13.968 1.00 62.44 C ATOM 861 CG2 ILE A 64 -16.389 5.361 13.531 1.00 23.12 C ATOM 862 CD1 ILE A 64 -15.867 8.209 12.786 1.00 31.51 C ATOM 0 H ILE A 64 -19.484 7.874 13.845 1.00 12.15 H new ATOM 0 HA ILE A 64 -17.916 6.808 11.724 1.00 62.23 H new ATOM 0 HB ILE A 64 -17.945 6.217 14.712 1.00 24.35 H new ATOM 0 HG12 ILE A 64 -17.480 8.575 14.134 1.00 62.44 H new ATOM 0 HG13 ILE A 64 -16.101 7.776 14.862 1.00 62.44 H new ATOM 0 HG21 ILE A 64 -15.676 5.328 14.354 1.00 23.12 H new ATOM 0 HG22 ILE A 64 -16.896 4.399 13.451 1.00 23.12 H new ATOM 0 HG23 ILE A 64 -15.860 5.571 12.601 1.00 23.12 H new ATOM 0 HD11 ILE A 64 -15.408 9.178 12.981 1.00 31.51 H new ATOM 0 HD12 ILE A 64 -15.087 7.463 12.632 1.00 31.51 H new ATOM 0 HD13 ILE A 64 -16.488 8.274 11.893 1.00 31.51 H new ATOM 874 N ASP A 65 -18.754 4.506 11.327 1.00 15.41 N ATOM 875 CA ASP A 65 -19.287 3.182 11.029 1.00 64.14 C ATOM 876 C ASP A 65 -18.159 2.197 10.735 1.00 33.11 C ATOM 877 O ASP A 65 -17.015 2.594 10.515 1.00 23.23 O ATOM 878 CB ASP A 65 -20.244 3.250 9.838 1.00 70.02 C ATOM 879 CG ASP A 65 -21.613 2.686 10.163 1.00 53.30 C ATOM 880 OD1 ASP A 65 -22.364 3.347 10.911 1.00 61.40 O ATOM 881 OD2 ASP A 65 -21.934 1.584 9.670 1.00 10.31 O ATOM 0 H ASP A 65 -18.139 4.885 10.607 1.00 15.41 H new ATOM 0 HA ASP A 65 -19.834 2.831 11.904 1.00 64.14 H new ATOM 0 HB2 ASP A 65 -20.348 4.287 9.518 1.00 70.02 H new ATOM 0 HB3 ASP A 65 -19.817 2.699 9.000 1.00 70.02 H new ATOM 886 N LYS A 66 -18.490 0.910 10.734 1.00 12.12 N ATOM 887 CA LYS A 66 -17.507 -0.133 10.468 1.00 60.12 C ATOM 888 C LYS A 66 -17.675 -0.692 9.058 1.00 2.15 C ATOM 889 O LYS A 66 -18.523 -1.550 8.818 1.00 53.51 O ATOM 890 CB LYS A 66 -17.639 -1.261 11.494 1.00 4.30 C ATOM 891 CG LYS A 66 -16.502 -1.303 12.500 1.00 24.32 C ATOM 892 CD LYS A 66 -16.721 -2.385 13.545 1.00 54.14 C ATOM 893 CE LYS A 66 -16.232 -3.739 13.056 1.00 70.53 C ATOM 894 NZ LYS A 66 -17.299 -4.776 13.133 1.00 41.51 N ATOM 0 H LYS A 66 -19.433 0.564 10.915 1.00 12.12 H new ATOM 0 HA LYS A 66 -16.514 0.309 10.549 1.00 60.12 H new ATOM 0 HB2 LYS A 66 -18.582 -1.146 12.028 1.00 4.30 H new ATOM 0 HB3 LYS A 66 -17.684 -2.215 10.969 1.00 4.30 H new ATOM 0 HG2 LYS A 66 -15.561 -1.483 11.980 1.00 24.32 H new ATOM 0 HG3 LYS A 66 -16.414 -0.334 12.991 1.00 24.32 H new ATOM 0 HD2 LYS A 66 -16.197 -2.117 14.463 1.00 54.14 H new ATOM 0 HD3 LYS A 66 -17.781 -2.447 13.790 1.00 54.14 H new ATOM 0 HE2 LYS A 66 -15.886 -3.650 12.026 1.00 70.53 H new ATOM 0 HE3 LYS A 66 -15.376 -4.053 13.654 1.00 70.53 H new ATOM 0 HZ1 LYS A 66 -16.926 -5.684 12.791 1.00 41.51 H new ATOM 0 HZ2 LYS A 66 -17.612 -4.880 14.119 1.00 41.51 H new ATOM 0 HZ3 LYS A 66 -18.106 -4.489 12.543 1.00 41.51 H new ATOM 908 N ASN A 67 -16.859 -0.201 8.131 1.00 12.20 N ATOM 909 CA ASN A 67 -16.917 -0.652 6.745 1.00 34.45 C ATOM 910 C ASN A 67 -15.858 0.049 5.900 1.00 75.30 C ATOM 911 O ASN A 67 -14.975 -0.595 5.333 1.00 2.55 O ATOM 912 CB ASN A 67 -18.307 -0.393 6.161 1.00 51.14 C ATOM 913 CG ASN A 67 -18.969 -1.662 5.659 1.00 52.45 C ATOM 914 OD1 ASN A 67 -18.295 -2.609 5.254 1.00 3.31 O ATOM 915 ND2 ASN A 67 -20.297 -1.685 5.682 1.00 23.22 N ATOM 0 H ASN A 67 -16.150 0.509 8.314 1.00 12.20 H new ATOM 0 HA ASN A 67 -16.718 -1.723 6.728 1.00 34.45 H new ATOM 0 HB2 ASN A 67 -18.938 0.066 6.922 1.00 51.14 H new ATOM 0 HB3 ASN A 67 -18.226 0.320 5.341 1.00 51.14 H new ATOM 0 HD21 ASN A 67 -20.798 -2.511 5.355 1.00 23.22 H new ATOM 0 HD22 ASN A 67 -20.815 -0.877 6.026 1.00 23.22 H new ATOM 922 N VAL A 68 -15.954 1.372 5.820 1.00 41.22 N ATOM 923 CA VAL A 68 -15.004 2.162 5.045 1.00 21.33 C ATOM 924 C VAL A 68 -13.811 2.578 5.899 1.00 50.25 C ATOM 925 O VAL A 68 -13.899 2.687 7.122 1.00 62.32 O ATOM 926 CB VAL A 68 -15.667 3.422 4.460 1.00 54.32 C ATOM 927 CG1 VAL A 68 -16.670 3.046 3.380 1.00 73.40 C ATOM 928 CG2 VAL A 68 -16.336 4.232 5.561 1.00 43.25 C ATOM 0 H VAL A 68 -16.680 1.920 6.282 1.00 41.22 H new ATOM 0 HA VAL A 68 -14.659 1.530 4.227 1.00 21.33 H new ATOM 0 HB VAL A 68 -14.893 4.040 4.004 1.00 54.32 H new ATOM 0 HG11 VAL A 68 -17.128 3.950 2.978 1.00 73.40 H new ATOM 0 HG12 VAL A 68 -16.159 2.512 2.579 1.00 73.40 H new ATOM 0 HG13 VAL A 68 -17.442 2.407 3.807 1.00 73.40 H new ATOM 0 HG21 VAL A 68 -16.800 5.119 5.130 1.00 43.25 H new ATOM 0 HG22 VAL A 68 -17.099 3.624 6.048 1.00 43.25 H new ATOM 0 HG23 VAL A 68 -15.589 4.534 6.296 1.00 43.25 H new ATOM 938 N PRO A 69 -12.668 2.818 5.240 1.00 45.22 N ATOM 939 CA PRO A 69 -11.434 3.228 5.918 1.00 33.12 C ATOM 940 C PRO A 69 -11.523 4.644 6.478 1.00 75.51 C ATOM 941 O PRO A 69 -11.591 5.616 5.725 1.00 72.21 O ATOM 942 CB PRO A 69 -10.380 3.156 4.811 1.00 42.21 C ATOM 943 CG PRO A 69 -11.146 3.338 3.546 1.00 4.21 C ATOM 944 CD PRO A 69 -12.491 2.709 3.782 1.00 24.51 C ATOM 0 HA PRO A 69 -11.212 2.596 6.778 1.00 33.12 H new ATOM 0 HB2 PRO A 69 -9.625 3.933 4.932 1.00 42.21 H new ATOM 0 HB3 PRO A 69 -9.858 2.199 4.823 1.00 42.21 H new ATOM 0 HG2 PRO A 69 -11.247 4.395 3.300 1.00 4.21 H new ATOM 0 HG3 PRO A 69 -10.635 2.863 2.709 1.00 4.21 H new ATOM 0 HD2 PRO A 69 -13.280 3.232 3.241 1.00 24.51 H new ATOM 0 HD3 PRO A 69 -12.513 1.671 3.451 1.00 24.51 H new ATOM 952 N CYS A 70 -11.523 4.752 7.802 1.00 44.22 N ATOM 953 CA CYS A 70 -11.604 6.050 8.462 1.00 2.24 C ATOM 954 C CYS A 70 -10.559 6.164 9.568 1.00 71.12 C ATOM 955 O CYS A 70 -10.317 5.210 10.308 1.00 52.11 O ATOM 956 CB CYS A 70 -13.003 6.264 9.042 1.00 22.02 C ATOM 957 SG CYS A 70 -13.461 8.001 9.243 1.00 51.54 S ATOM 0 H CYS A 70 -11.468 3.957 8.439 1.00 44.22 H new ATOM 0 HA CYS A 70 -11.405 6.821 7.718 1.00 2.24 H new ATOM 0 HB2 CYS A 70 -13.732 5.780 8.392 1.00 22.02 H new ATOM 0 HB3 CYS A 70 -13.062 5.769 10.011 1.00 22.02 H new ATOM 0 HG CYS A 70 -12.484 8.757 8.837 1.00 51.54 H new ATOM 963 N TYR A 71 -9.942 7.335 9.673 1.00 42.42 N ATOM 964 CA TYR A 71 -8.920 7.573 10.685 1.00 23.31 C ATOM 965 C TYR A 71 -9.217 8.846 11.471 1.00 44.20 C ATOM 966 O TYR A 71 -9.500 9.894 10.892 1.00 45.51 O ATOM 967 CB TYR A 71 -7.540 7.673 10.033 1.00 63.41 C ATOM 968 CG TYR A 71 -7.409 8.827 9.066 1.00 51.52 C ATOM 969 CD1 TYR A 71 -7.728 8.674 7.722 1.00 11.04 C ATOM 970 CD2 TYR A 71 -6.968 10.073 9.496 1.00 24.22 C ATOM 971 CE1 TYR A 71 -7.610 9.726 6.835 1.00 5.33 C ATOM 972 CE2 TYR A 71 -6.847 11.131 8.616 1.00 14.25 C ATOM 973 CZ TYR A 71 -7.169 10.953 7.287 1.00 30.21 C ATOM 974 OH TYR A 71 -7.051 12.004 6.407 1.00 61.01 O ATOM 0 H TYR A 71 -10.132 8.135 9.069 1.00 42.42 H new ATOM 0 HA TYR A 71 -8.927 6.731 11.377 1.00 23.31 H new ATOM 0 HB2 TYR A 71 -6.786 7.776 10.813 1.00 63.41 H new ATOM 0 HB3 TYR A 71 -7.328 6.743 9.506 1.00 63.41 H new ATOM 0 HD1 TYR A 71 -8.074 7.715 7.365 1.00 11.04 H new ATOM 0 HD2 TYR A 71 -6.716 10.217 10.536 1.00 24.22 H new ATOM 0 HE1 TYR A 71 -7.861 9.589 5.794 1.00 5.33 H new ATOM 0 HE2 TYR A 71 -6.502 12.092 8.967 1.00 14.25 H new ATOM 0 HH TYR A 71 -6.699 12.788 6.879 1.00 61.01 H new ATOM 984 N ALA A 72 -9.149 8.746 12.794 1.00 10.25 N ATOM 985 CA ALA A 72 -9.407 9.889 13.661 1.00 15.31 C ATOM 986 C ALA A 72 -8.145 10.311 14.405 1.00 43.25 C ATOM 987 O ALA A 72 -7.493 9.494 15.054 1.00 60.12 O ATOM 988 CB ALA A 72 -10.519 9.563 14.648 1.00 41.03 C ATOM 0 H ALA A 72 -8.917 7.885 13.289 1.00 10.25 H new ATOM 0 HA ALA A 72 -9.724 10.723 13.035 1.00 15.31 H new ATOM 0 HB1 ALA A 72 -10.701 10.426 15.289 1.00 41.03 H new ATOM 0 HB2 ALA A 72 -11.430 9.318 14.102 1.00 41.03 H new ATOM 0 HB3 ALA A 72 -10.223 8.711 15.261 1.00 41.03 H new ATOM 994 N ALA A 73 -7.805 11.592 14.304 1.00 3.13 N ATOM 995 CA ALA A 73 -6.620 12.122 14.968 1.00 15.35 C ATOM 996 C ALA A 73 -7.003 12.983 16.168 1.00 42.23 C ATOM 997 O ALA A 73 -7.556 14.072 16.012 1.00 41.01 O ATOM 998 CB ALA A 73 -5.780 12.925 13.987 1.00 63.02 C ATOM 0 H ALA A 73 -8.333 12.282 13.769 1.00 3.13 H new ATOM 0 HA ALA A 73 -6.030 11.281 15.331 1.00 15.35 H new ATOM 0 HB1 ALA A 73 -4.899 13.315 14.497 1.00 63.02 H new ATOM 0 HB2 ALA A 73 -5.469 12.282 13.164 1.00 63.02 H new ATOM 0 HB3 ALA A 73 -6.370 13.754 13.597 1.00 63.02 H new ATOM 1004 N PHE A 74 -6.705 12.488 17.364 1.00 12.05 N ATOM 1005 CA PHE A 74 -7.020 13.212 18.591 1.00 65.41 C ATOM 1006 C PHE A 74 -5.746 13.588 19.342 1.00 43.10 C ATOM 1007 O PHE A 74 -4.823 12.782 19.463 1.00 4.50 O ATOM 1008 CB PHE A 74 -7.924 12.366 19.490 1.00 61.23 C ATOM 1009 CG PHE A 74 -7.169 11.417 20.376 1.00 35.50 C ATOM 1010 CD1 PHE A 74 -6.864 10.137 19.942 1.00 74.40 C ATOM 1011 CD2 PHE A 74 -6.766 11.804 21.644 1.00 43.14 C ATOM 1012 CE1 PHE A 74 -6.170 9.261 20.755 1.00 60.41 C ATOM 1013 CE2 PHE A 74 -6.071 10.933 22.461 1.00 63.32 C ATOM 1014 CZ PHE A 74 -5.774 9.659 22.016 1.00 5.15 C ATOM 0 H PHE A 74 -6.246 11.589 17.511 1.00 12.05 H new ATOM 0 HA PHE A 74 -7.545 14.128 18.319 1.00 65.41 H new ATOM 0 HB2 PHE A 74 -8.528 13.028 20.111 1.00 61.23 H new ATOM 0 HB3 PHE A 74 -8.614 11.797 18.866 1.00 61.23 H new ATOM 0 HD1 PHE A 74 -7.172 9.820 18.957 1.00 74.40 H new ATOM 0 HD2 PHE A 74 -6.998 12.798 21.998 1.00 43.14 H new ATOM 0 HE1 PHE A 74 -5.938 8.266 20.404 1.00 60.41 H new ATOM 0 HE2 PHE A 74 -5.760 11.248 23.446 1.00 63.32 H new ATOM 0 HZ PHE A 74 -5.233 8.976 22.654 1.00 5.15 H new ATOM 1024 N ASP A 75 -5.704 14.817 19.844 1.00 45.33 N ATOM 1025 CA ASP A 75 -4.544 15.302 20.584 1.00 60.24 C ATOM 1026 C ASP A 75 -4.738 15.110 22.085 1.00 51.15 C ATOM 1027 O ASP A 75 -5.764 15.500 22.643 1.00 4.02 O ATOM 1028 CB ASP A 75 -4.295 16.779 20.273 1.00 20.45 C ATOM 1029 CG ASP A 75 -2.865 17.196 20.555 1.00 50.21 C ATOM 1030 OD1 ASP A 75 -1.942 16.436 20.193 1.00 54.00 O ATOM 1031 OD2 ASP A 75 -2.668 18.284 21.136 1.00 34.42 O ATOM 0 H ASP A 75 -6.460 15.496 19.752 1.00 45.33 H new ATOM 0 HA ASP A 75 -3.676 14.722 20.271 1.00 60.24 H new ATOM 0 HB2 ASP A 75 -4.527 16.971 19.225 1.00 20.45 H new ATOM 0 HB3 ASP A 75 -4.973 17.392 20.867 1.00 20.45 H new ATOM 1036 N PHE A 76 -3.747 14.506 22.732 1.00 51.12 N ATOM 1037 CA PHE A 76 -3.810 14.261 24.168 1.00 64.41 C ATOM 1038 C PHE A 76 -2.716 15.033 24.900 1.00 64.42 C ATOM 1039 O PHE A 76 -1.771 15.524 24.283 1.00 1.25 O ATOM 1040 CB PHE A 76 -3.674 12.764 24.457 1.00 12.22 C ATOM 1041 CG PHE A 76 -4.464 12.311 25.652 1.00 70.34 C ATOM 1042 CD1 PHE A 76 -5.833 12.515 25.712 1.00 50.33 C ATOM 1043 CD2 PHE A 76 -3.837 11.680 26.714 1.00 13.34 C ATOM 1044 CE1 PHE A 76 -6.563 12.099 26.809 1.00 20.12 C ATOM 1045 CE2 PHE A 76 -4.562 11.261 27.814 1.00 0.31 C ATOM 1046 CZ PHE A 76 -5.926 11.472 27.862 1.00 12.02 C ATOM 0 H PHE A 76 -2.891 14.177 22.285 1.00 51.12 H new ATOM 0 HA PHE A 76 -4.778 14.608 24.529 1.00 64.41 H new ATOM 0 HB2 PHE A 76 -3.999 12.202 23.582 1.00 12.22 H new ATOM 0 HB3 PHE A 76 -2.622 12.527 24.615 1.00 12.22 H new ATOM 0 HD1 PHE A 76 -6.336 13.005 24.891 1.00 50.33 H new ATOM 0 HD2 PHE A 76 -2.770 11.514 26.682 1.00 13.34 H new ATOM 0 HE1 PHE A 76 -7.630 12.264 26.843 1.00 20.12 H new ATOM 0 HE2 PHE A 76 -4.062 10.769 28.635 1.00 0.31 H new ATOM 0 HZ PHE A 76 -6.494 11.147 28.721 1.00 12.02 H new ATOM 1056 N GLU A 77 -2.852 15.135 26.218 1.00 35.52 N ATOM 1057 CA GLU A 77 -1.877 15.848 27.034 1.00 63.22 C ATOM 1058 C GLU A 77 -1.256 14.921 28.075 1.00 33.31 C ATOM 1059 O GLU A 77 -1.957 14.150 28.731 1.00 23.45 O ATOM 1060 CB GLU A 77 -2.534 17.043 27.727 1.00 53.24 C ATOM 1061 CG GLU A 77 -3.923 16.745 28.267 1.00 2.20 C ATOM 1062 CD GLU A 77 -4.310 17.657 29.416 1.00 62.55 C ATOM 1063 OE1 GLU A 77 -4.222 18.891 29.248 1.00 43.10 O ATOM 1064 OE2 GLU A 77 -4.700 17.136 30.481 1.00 32.12 O ATOM 0 H GLU A 77 -3.628 14.733 26.744 1.00 35.52 H new ATOM 0 HA GLU A 77 -1.086 16.209 26.376 1.00 63.22 H new ATOM 0 HB2 GLU A 77 -1.897 17.372 28.548 1.00 53.24 H new ATOM 0 HB3 GLU A 77 -2.598 17.872 27.022 1.00 53.24 H new ATOM 0 HG2 GLU A 77 -4.652 16.850 27.463 1.00 2.20 H new ATOM 0 HG3 GLU A 77 -3.964 15.708 28.601 1.00 2.20 H new ATOM 1167 N ARG A 85 3.071 18.688 27.874 1.00 32.33 N ATOM 1168 CA ARG A 85 3.385 17.959 26.652 1.00 61.54 C ATOM 1169 C ARG A 85 2.110 17.508 25.944 1.00 23.35 C ATOM 1170 O ARG A 85 1.093 17.245 26.586 1.00 55.34 O ATOM 1171 CB ARG A 85 4.262 16.746 26.967 1.00 22.50 C ATOM 1172 CG ARG A 85 5.466 16.609 26.049 1.00 2.44 C ATOM 1173 CD ARG A 85 5.102 15.901 24.754 1.00 40.10 C ATOM 1174 NE ARG A 85 6.198 15.074 24.256 1.00 52.14 N ATOM 1175 CZ ARG A 85 6.302 14.675 22.993 1.00 51.32 C ATOM 1176 NH1 ARG A 85 5.382 15.026 22.105 1.00 14.22 N ATOM 1177 NH2 ARG A 85 7.329 13.924 22.616 1.00 54.15 N ATOM 0 HA ARG A 85 3.930 18.631 25.989 1.00 61.54 H new ATOM 0 HB2 ARG A 85 4.608 16.817 27.998 1.00 22.50 H new ATOM 0 HB3 ARG A 85 3.657 15.842 26.895 1.00 22.50 H new ATOM 0 HG2 ARG A 85 5.868 17.597 25.824 1.00 2.44 H new ATOM 0 HG3 ARG A 85 6.253 16.054 26.560 1.00 2.44 H new ATOM 0 HD2 ARG A 85 4.222 15.278 24.916 1.00 40.10 H new ATOM 0 HD3 ARG A 85 4.834 16.641 23.999 1.00 40.10 H new ATOM 0 HE ARG A 85 6.923 14.787 24.914 1.00 52.14 H new ATOM 0 HH11 ARG A 85 4.592 15.604 22.391 1.00 14.22 H new ATOM 0 HH12 ARG A 85 5.465 14.718 21.136 1.00 14.22 H new ATOM 0 HH21 ARG A 85 8.039 13.653 23.296 1.00 54.15 H new ATOM 0 HH22 ARG A 85 7.408 13.618 21.646 1.00 54.15 H new ATOM 1191 N ASP A 86 2.174 17.421 24.620 1.00 34.24 N ATOM 1192 CA ASP A 86 1.025 17.001 23.826 1.00 50.41 C ATOM 1193 C ASP A 86 1.435 15.968 22.781 1.00 10.03 C ATOM 1194 O ASP A 86 2.500 16.073 22.173 1.00 24.32 O ATOM 1195 CB ASP A 86 0.383 18.209 23.142 1.00 53.22 C ATOM 1196 CG ASP A 86 -0.226 19.181 24.134 1.00 64.21 C ATOM 1197 OD1 ASP A 86 -1.195 18.797 24.821 1.00 0.31 O ATOM 1198 OD2 ASP A 86 0.267 20.325 24.223 1.00 42.13 O ATOM 0 H ASP A 86 3.009 17.635 24.074 1.00 34.24 H new ATOM 0 HA ASP A 86 0.298 16.544 24.497 1.00 50.41 H new ATOM 0 HB2 ASP A 86 1.134 18.726 22.545 1.00 53.22 H new ATOM 0 HB3 ASP A 86 -0.389 17.865 22.454 1.00 53.22 H new ATOM 1203 N LYS A 87 0.583 14.969 22.578 1.00 14.23 N ATOM 1204 CA LYS A 87 0.855 13.916 21.608 1.00 73.25 C ATOM 1205 C LYS A 87 -0.408 13.548 20.835 1.00 14.04 C ATOM 1206 O LYS A 87 -1.423 13.175 21.426 1.00 10.42 O ATOM 1207 CB LYS A 87 1.414 12.677 22.311 1.00 12.33 C ATOM 1208 CG LYS A 87 2.929 12.667 22.412 1.00 64.15 C ATOM 1209 CD LYS A 87 3.537 11.571 21.552 1.00 25.15 C ATOM 1210 CE LYS A 87 3.361 11.862 20.070 1.00 12.11 C ATOM 1211 NZ LYS A 87 4.256 12.959 19.610 1.00 44.23 N ATOM 0 H LYS A 87 -0.303 14.867 23.073 1.00 14.23 H new ATOM 0 HA LYS A 87 1.596 14.291 20.902 1.00 73.25 H new ATOM 0 HB2 LYS A 87 0.991 12.617 23.314 1.00 12.33 H new ATOM 0 HB3 LYS A 87 1.088 11.787 21.773 1.00 12.33 H new ATOM 0 HG2 LYS A 87 3.322 13.635 22.101 1.00 64.15 H new ATOM 0 HG3 LYS A 87 3.225 12.522 23.451 1.00 64.15 H new ATOM 0 HD2 LYS A 87 4.598 11.474 21.781 1.00 25.15 H new ATOM 0 HD3 LYS A 87 3.070 10.616 21.794 1.00 25.15 H new ATOM 0 HE2 LYS A 87 3.568 10.959 19.496 1.00 12.11 H new ATOM 0 HE3 LYS A 87 2.324 12.133 19.874 1.00 12.11 H new ATOM 0 HZ1 LYS A 87 4.206 13.036 18.574 1.00 44.23 H new ATOM 0 HZ2 LYS A 87 3.954 13.857 20.039 1.00 44.23 H new ATOM 0 HZ3 LYS A 87 5.234 12.751 19.895 1.00 44.23 H new ATOM 1225 N LEU A 88 -0.340 13.654 19.513 1.00 25.50 N ATOM 1226 CA LEU A 88 -1.478 13.330 18.659 1.00 4.35 C ATOM 1227 C LEU A 88 -1.444 11.864 18.240 1.00 52.24 C ATOM 1228 O LEU A 88 -0.413 11.360 17.793 1.00 34.45 O ATOM 1229 CB LEU A 88 -1.482 14.227 17.421 1.00 51.45 C ATOM 1230 CG LEU A 88 -2.831 14.839 17.040 1.00 43.32 C ATOM 1231 CD1 LEU A 88 -2.641 15.966 16.037 1.00 54.54 C ATOM 1232 CD2 LEU A 88 -3.760 13.774 16.478 1.00 34.51 C ATOM 0 H LEU A 88 0.491 13.962 19.008 1.00 25.50 H new ATOM 0 HA LEU A 88 -2.391 13.504 19.229 1.00 4.35 H new ATOM 0 HB2 LEU A 88 -0.770 15.037 17.581 1.00 51.45 H new ATOM 0 HB3 LEU A 88 -1.117 13.645 16.574 1.00 51.45 H new ATOM 0 HG LEU A 88 -3.288 15.253 17.939 1.00 43.32 H new ATOM 0 HD11 LEU A 88 -3.611 16.390 15.777 1.00 54.54 H new ATOM 0 HD12 LEU A 88 -2.012 16.741 16.475 1.00 54.54 H new ATOM 0 HD13 LEU A 88 -2.163 15.576 15.138 1.00 54.54 H new ATOM 0 HD21 LEU A 88 -4.715 14.228 16.212 1.00 34.51 H new ATOM 0 HD22 LEU A 88 -3.310 13.330 15.590 1.00 34.51 H new ATOM 0 HD23 LEU A 88 -3.922 13.000 17.228 1.00 34.51 H new ATOM 1244 N ILE A 89 -2.578 11.187 18.383 1.00 14.15 N ATOM 1245 CA ILE A 89 -2.679 9.780 18.016 1.00 53.21 C ATOM 1246 C ILE A 89 -3.734 9.569 16.935 1.00 30.31 C ATOM 1247 O ILE A 89 -4.729 10.293 16.872 1.00 25.24 O ATOM 1248 CB ILE A 89 -3.026 8.904 19.234 1.00 62.41 C ATOM 1249 CG1 ILE A 89 -2.511 9.553 20.520 1.00 24.11 C ATOM 1250 CG2 ILE A 89 -2.440 7.509 19.067 1.00 54.43 C ATOM 1251 CD1 ILE A 89 -1.020 9.812 20.511 1.00 54.40 C ATOM 0 H ILE A 89 -3.440 11.590 18.750 1.00 14.15 H new ATOM 0 HA ILE A 89 -1.703 9.483 17.632 1.00 53.21 H new ATOM 0 HB ILE A 89 -4.110 8.816 19.303 1.00 62.41 H new ATOM 0 HG12 ILE A 89 -3.035 10.496 20.676 1.00 24.11 H new ATOM 0 HG13 ILE A 89 -2.755 8.909 21.365 1.00 24.11 H new ATOM 0 HG21 ILE A 89 -2.694 6.901 19.936 1.00 54.43 H new ATOM 0 HG22 ILE A 89 -2.850 7.047 18.169 1.00 54.43 H new ATOM 0 HG23 ILE A 89 -1.356 7.578 18.977 1.00 54.43 H new ATOM 0 HD11 ILE A 89 -0.725 10.273 21.454 1.00 54.40 H new ATOM 0 HD12 ILE A 89 -0.488 8.869 20.386 1.00 54.40 H new ATOM 0 HD13 ILE A 89 -0.772 10.481 19.687 1.00 54.40 H new ATOM 1263 N LEU A 90 -3.512 8.571 16.087 1.00 43.15 N ATOM 1264 CA LEU A 90 -4.444 8.262 15.008 1.00 30.10 C ATOM 1265 C LEU A 90 -5.011 6.855 15.165 1.00 31.43 C ATOM 1266 O LEU A 90 -4.269 5.872 15.166 1.00 43.33 O ATOM 1267 CB LEU A 90 -3.749 8.395 13.652 1.00 5.22 C ATOM 1268 CG LEU A 90 -4.650 8.743 12.467 1.00 43.41 C ATOM 1269 CD1 LEU A 90 -4.980 10.228 12.466 1.00 61.15 C ATOM 1270 CD2 LEU A 90 -3.987 8.341 11.157 1.00 14.32 C ATOM 0 H LEU A 90 -2.695 7.962 16.126 1.00 43.15 H new ATOM 0 HA LEU A 90 -5.268 8.974 15.058 1.00 30.10 H new ATOM 0 HB2 LEU A 90 -2.979 9.162 13.735 1.00 5.22 H new ATOM 0 HB3 LEU A 90 -3.241 7.456 13.433 1.00 5.22 H new ATOM 0 HG LEU A 90 -5.581 8.185 12.566 1.00 43.41 H new ATOM 0 HD11 LEU A 90 -5.622 10.457 11.616 1.00 61.15 H new ATOM 0 HD12 LEU A 90 -5.496 10.487 13.391 1.00 61.15 H new ATOM 0 HD13 LEU A 90 -4.059 10.805 12.391 1.00 61.15 H new ATOM 0 HD21 LEU A 90 -4.642 8.596 10.324 1.00 14.32 H new ATOM 0 HD22 LEU A 90 -3.041 8.872 11.050 1.00 14.32 H new ATOM 0 HD23 LEU A 90 -3.802 7.267 11.157 1.00 14.32 H new ATOM 1282 N ILE A 91 -6.330 6.765 15.296 1.00 13.24 N ATOM 1283 CA ILE A 91 -6.997 5.478 15.451 1.00 43.12 C ATOM 1284 C ILE A 91 -7.945 5.207 14.288 1.00 15.31 C ATOM 1285 O ILE A 91 -8.802 6.031 13.968 1.00 41.44 O ATOM 1286 CB ILE A 91 -7.787 5.408 16.771 1.00 70.03 C ATOM 1287 CG1 ILE A 91 -6.908 5.854 17.941 1.00 13.50 C ATOM 1288 CG2 ILE A 91 -8.309 3.998 17.001 1.00 31.32 C ATOM 1289 CD1 ILE A 91 -6.980 7.340 18.218 1.00 33.34 C ATOM 0 H ILE A 91 -6.958 7.568 15.298 1.00 13.24 H new ATOM 0 HA ILE A 91 -6.216 4.718 15.465 1.00 43.12 H new ATOM 0 HB ILE A 91 -8.640 6.084 16.704 1.00 70.03 H new ATOM 0 HG12 ILE A 91 -7.207 5.310 18.837 1.00 13.50 H new ATOM 0 HG13 ILE A 91 -5.874 5.581 17.733 1.00 13.50 H new ATOM 0 HG21 ILE A 91 -8.865 3.964 17.938 1.00 31.32 H new ATOM 0 HG22 ILE A 91 -8.966 3.714 16.179 1.00 31.32 H new ATOM 0 HG23 ILE A 91 -7.471 3.303 17.052 1.00 31.32 H new ATOM 0 HD11 ILE A 91 -6.332 7.585 19.060 1.00 33.34 H new ATOM 0 HD12 ILE A 91 -6.653 7.891 17.336 1.00 33.34 H new ATOM 0 HD13 ILE A 91 -8.007 7.616 18.458 1.00 33.34 H new ATOM 1301 N SER A 92 -7.788 4.046 13.661 1.00 50.00 N ATOM 1302 CA SER A 92 -8.629 3.667 12.532 1.00 35.41 C ATOM 1303 C SER A 92 -9.628 2.587 12.938 1.00 73.03 C ATOM 1304 O SER A 92 -9.280 1.634 13.635 1.00 43.20 O ATOM 1305 CB SER A 92 -7.767 3.169 11.371 1.00 51.05 C ATOM 1306 OG SER A 92 -8.290 3.600 10.126 1.00 3.40 O ATOM 0 H SER A 92 -7.086 3.351 13.916 1.00 50.00 H new ATOM 0 HA SER A 92 -9.183 4.549 12.211 1.00 35.41 H new ATOM 0 HB2 SER A 92 -6.747 3.536 11.487 1.00 51.05 H new ATOM 0 HB3 SER A 92 -7.718 2.080 11.391 1.00 51.05 H new ATOM 0 HG SER A 92 -8.760 4.451 10.246 1.00 3.40 H new ATOM 1312 N TRP A 93 -10.871 2.744 12.496 1.00 22.01 N ATOM 1313 CA TRP A 93 -11.921 1.783 12.813 1.00 54.03 C ATOM 1314 C TRP A 93 -12.564 1.241 11.541 1.00 32.40 C ATOM 1315 O TRP A 93 -13.165 1.988 10.771 1.00 14.42 O ATOM 1316 CB TRP A 93 -12.985 2.433 13.699 1.00 21.24 C ATOM 1317 CG TRP A 93 -13.094 3.915 13.507 1.00 52.12 C ATOM 1318 CD1 TRP A 93 -13.476 4.568 12.370 1.00 62.25 C ATOM 1319 CD2 TRP A 93 -12.817 4.928 14.479 1.00 2.45 C ATOM 1320 NE1 TRP A 93 -13.452 5.926 12.577 1.00 54.04 N ATOM 1321 CE2 TRP A 93 -13.052 6.173 13.863 1.00 13.02 C ATOM 1322 CE3 TRP A 93 -12.395 4.906 15.811 1.00 25.43 C ATOM 1323 CZ2 TRP A 93 -12.878 7.380 14.534 1.00 2.42 C ATOM 1324 CZ3 TRP A 93 -12.222 6.105 16.476 1.00 65.22 C ATOM 1325 CH2 TRP A 93 -12.464 7.328 15.837 1.00 5.54 C ATOM 0 H TRP A 93 -11.176 3.527 11.918 1.00 22.01 H new ATOM 0 HA TRP A 93 -11.467 0.951 13.352 1.00 54.03 H new ATOM 0 HB2 TRP A 93 -13.951 1.975 13.489 1.00 21.24 H new ATOM 0 HB3 TRP A 93 -12.754 2.225 14.744 1.00 21.24 H new ATOM 0 HD1 TRP A 93 -13.756 4.087 11.444 1.00 62.25 H new ATOM 0 HE1 TRP A 93 -13.693 6.635 11.885 1.00 54.04 H new ATOM 0 HE3 TRP A 93 -12.207 3.968 16.312 1.00 25.43 H new ATOM 0 HZ2 TRP A 93 -13.063 8.324 14.043 1.00 2.42 H new ATOM 0 HZ3 TRP A 93 -11.895 6.099 17.505 1.00 65.22 H new ATOM 0 HH2 TRP A 93 -12.321 8.248 16.384 1.00 5.54 H new ATOM 1336 N ASN A 94 -12.433 -0.065 11.327 1.00 14.32 N ATOM 1337 CA ASN A 94 -13.002 -0.707 10.148 1.00 41.34 C ATOM 1338 C ASN A 94 -12.700 -2.202 10.143 1.00 23.12 C ATOM 1339 O ASN A 94 -11.692 -2.659 10.684 1.00 51.43 O ATOM 1340 CB ASN A 94 -12.452 -0.060 8.874 1.00 31.25 C ATOM 1341 CG ASN A 94 -11.001 0.356 9.018 1.00 62.23 C ATOM 1342 OD1 ASN A 94 -10.703 1.477 9.429 1.00 4.02 O ATOM 1343 ND2 ASN A 94 -10.090 -0.549 8.677 1.00 0.33 N ATOM 0 H ASN A 94 -11.938 -0.699 11.955 1.00 14.32 H new ATOM 0 HA ASN A 94 -14.083 -0.573 10.179 1.00 41.34 H new ATOM 0 HB2 ASN A 94 -12.546 -0.761 8.044 1.00 31.25 H new ATOM 0 HB3 ASN A 94 -13.055 0.813 8.624 1.00 31.25 H new ATOM 0 HD21 ASN A 94 -9.097 -0.326 8.751 1.00 0.33 H new ATOM 0 HD22 ASN A 94 -10.383 -1.466 8.341 1.00 0.33 H new ATOM 1350 N PRO A 95 -13.592 -2.984 9.518 1.00 34.34 N ATOM 1351 CA PRO A 95 -13.443 -4.440 9.427 1.00 3.32 C ATOM 1352 C PRO A 95 -12.296 -4.848 8.509 1.00 24.13 C ATOM 1353 O PRO A 95 -12.176 -4.350 7.390 1.00 52.41 O ATOM 1354 CB PRO A 95 -14.782 -4.898 8.846 1.00 72.44 C ATOM 1355 CG PRO A 95 -15.294 -3.717 8.096 1.00 13.14 C ATOM 1356 CD PRO A 95 -14.816 -2.508 8.852 1.00 33.14 C ATOM 0 HA PRO A 95 -13.207 -4.887 10.393 1.00 3.32 H new ATOM 0 HB2 PRO A 95 -14.655 -5.759 8.190 1.00 72.44 H new ATOM 0 HB3 PRO A 95 -15.474 -5.197 9.634 1.00 72.44 H new ATOM 0 HG2 PRO A 95 -14.918 -3.711 7.073 1.00 13.14 H new ATOM 0 HG3 PRO A 95 -16.382 -3.735 8.036 1.00 13.14 H new ATOM 0 HD2 PRO A 95 -14.611 -1.672 8.184 1.00 33.14 H new ATOM 0 HD3 PRO A 95 -15.558 -2.165 9.573 1.00 33.14 H new ATOM 1364 N ASP A 96 -11.455 -5.757 8.990 1.00 63.44 N ATOM 1365 CA ASP A 96 -10.318 -6.234 8.211 1.00 25.11 C ATOM 1366 C ASP A 96 -10.786 -6.967 6.958 1.00 61.02 C ATOM 1367 O ASP A 96 -10.163 -6.869 5.900 1.00 34.34 O ATOM 1368 CB ASP A 96 -9.442 -7.157 9.060 1.00 72.52 C ATOM 1369 CG ASP A 96 -10.201 -8.367 9.569 1.00 23.22 C ATOM 1370 OD1 ASP A 96 -10.944 -8.227 10.563 1.00 11.41 O ATOM 1371 OD2 ASP A 96 -10.052 -9.454 8.974 1.00 63.44 O ATOM 0 H ASP A 96 -11.539 -6.178 9.915 1.00 63.44 H new ATOM 0 HA ASP A 96 -9.730 -5.368 7.905 1.00 25.11 H new ATOM 0 HB2 ASP A 96 -8.589 -7.489 8.468 1.00 72.52 H new ATOM 0 HB3 ASP A 96 -9.044 -6.598 9.907 1.00 72.52 H new ATOM 1376 N SER A 97 -11.886 -7.702 7.085 1.00 52.03 N ATOM 1377 CA SER A 97 -12.435 -8.456 5.964 1.00 53.33 C ATOM 1378 C SER A 97 -13.568 -7.684 5.293 1.00 33.55 C ATOM 1379 O SER A 97 -14.327 -8.239 4.500 1.00 51.15 O ATOM 1380 CB SER A 97 -12.942 -9.819 6.438 1.00 60.21 C ATOM 1381 OG SER A 97 -13.390 -9.758 7.781 1.00 40.11 O ATOM 0 H SER A 97 -12.415 -7.791 7.953 1.00 52.03 H new ATOM 0 HA SER A 97 -11.639 -8.606 5.235 1.00 53.33 H new ATOM 0 HB2 SER A 97 -13.757 -10.151 5.794 1.00 60.21 H new ATOM 0 HB3 SER A 97 -12.145 -10.557 6.350 1.00 60.21 H new ATOM 0 HG SER A 97 -13.711 -10.641 8.059 1.00 40.11 H new ATOM 1387 N GLY A 98 -13.676 -6.400 5.620 1.00 20.02 N ATOM 1388 CA GLY A 98 -14.718 -5.572 5.042 1.00 34.30 C ATOM 1389 C GLY A 98 -14.749 -5.651 3.529 1.00 64.24 C ATOM 1390 O GLY A 98 -15.443 -6.491 2.958 1.00 73.41 O ATOM 0 H GLY A 98 -13.060 -5.918 6.275 1.00 20.02 H new ATOM 0 HA2 GLY A 98 -15.685 -5.881 5.439 1.00 34.30 H new ATOM 0 HA3 GLY A 98 -14.565 -4.536 5.346 1.00 34.30 H new ATOM 1394 N ALA A 99 -13.994 -4.772 2.877 1.00 73.33 N ATOM 1395 CA ALA A 99 -13.937 -4.746 1.420 1.00 33.34 C ATOM 1396 C ALA A 99 -12.495 -4.774 0.927 1.00 62.51 C ATOM 1397 O ALA A 99 -11.557 -4.459 1.659 1.00 44.31 O ATOM 1398 CB ALA A 99 -14.656 -3.516 0.886 1.00 31.30 C ATOM 0 H ALA A 99 -13.414 -4.069 3.335 1.00 73.33 H new ATOM 0 HA ALA A 99 -14.439 -5.638 1.045 1.00 33.34 H new ATOM 0 HB1 ALA A 99 -14.606 -3.509 -0.203 1.00 31.30 H new ATOM 0 HB2 ALA A 99 -15.699 -3.539 1.201 1.00 31.30 H new ATOM 0 HB3 ALA A 99 -14.179 -2.617 1.277 1.00 31.30 H new ATOM 1404 N PRO A 100 -12.311 -5.162 -0.344 1.00 22.11 N ATOM 1405 CA PRO A 100 -10.984 -5.241 -0.963 1.00 55.14 C ATOM 1406 C PRO A 100 -10.368 -3.865 -1.191 1.00 13.21 C ATOM 1407 O PRO A 100 -9.209 -3.629 -0.849 1.00 72.34 O ATOM 1408 CB PRO A 100 -11.258 -5.932 -2.301 1.00 75.05 C ATOM 1409 CG PRO A 100 -12.684 -5.621 -2.603 1.00 62.25 C ATOM 1410 CD PRO A 100 -13.383 -5.553 -1.274 1.00 54.22 C ATOM 0 HA PRO A 100 -10.271 -5.771 -0.332 1.00 55.14 H new ATOM 0 HB2 PRO A 100 -10.597 -5.558 -3.083 1.00 75.05 H new ATOM 0 HB3 PRO A 100 -11.093 -7.007 -2.232 1.00 75.05 H new ATOM 0 HG2 PRO A 100 -12.772 -4.676 -3.139 1.00 62.25 H new ATOM 0 HG3 PRO A 100 -13.125 -6.390 -3.237 1.00 62.25 H new ATOM 0 HD2 PRO A 100 -14.193 -4.824 -1.283 1.00 54.22 H new ATOM 0 HD3 PRO A 100 -13.821 -6.513 -1.001 1.00 54.22 H new ATOM 1418 N ARG A 101 -11.151 -2.959 -1.769 1.00 63.40 N ATOM 1419 CA ARG A 101 -10.681 -1.607 -2.043 1.00 1.45 C ATOM 1420 C ARG A 101 -10.463 -0.834 -0.745 1.00 11.01 C ATOM 1421 O ARG A 101 -9.507 -0.068 -0.618 1.00 22.53 O ATOM 1422 CB ARG A 101 -11.684 -0.865 -2.928 1.00 42.11 C ATOM 1423 CG ARG A 101 -12.115 -1.654 -4.154 1.00 25.15 C ATOM 1424 CD ARG A 101 -12.196 -0.768 -5.386 1.00 55.25 C ATOM 1425 NE ARG A 101 -12.341 -1.548 -6.613 1.00 12.23 N ATOM 1426 CZ ARG A 101 -13.499 -2.044 -7.036 1.00 4.31 C ATOM 1427 NH1 ARG A 101 -14.606 -1.841 -6.336 1.00 30.34 N ATOM 1428 NH2 ARG A 101 -13.550 -2.743 -8.162 1.00 62.32 N ATOM 0 H ARG A 101 -12.113 -3.137 -2.056 1.00 63.40 H new ATOM 0 HA ARG A 101 -9.728 -1.680 -2.567 1.00 1.45 H new ATOM 0 HB2 ARG A 101 -12.566 -0.619 -2.336 1.00 42.11 H new ATOM 0 HB3 ARG A 101 -11.243 0.078 -3.250 1.00 42.11 H new ATOM 0 HG2 ARG A 101 -11.409 -2.465 -4.333 1.00 25.15 H new ATOM 0 HG3 ARG A 101 -13.086 -2.113 -3.970 1.00 25.15 H new ATOM 0 HD2 ARG A 101 -13.041 -0.087 -5.288 1.00 55.25 H new ATOM 0 HD3 ARG A 101 -11.298 -0.154 -5.451 1.00 55.25 H new ATOM 0 HE ARG A 101 -11.508 -1.721 -7.176 1.00 12.23 H new ATOM 0 HH11 ARG A 101 -14.570 -1.303 -5.470 1.00 30.34 H new ATOM 0 HH12 ARG A 101 -15.493 -2.223 -6.663 1.00 30.34 H new ATOM 0 HH21 ARG A 101 -12.700 -2.900 -8.704 1.00 62.32 H new ATOM 0 HH22 ARG A 101 -14.439 -3.124 -8.486 1.00 62.32 H new ATOM 1442 N THR A 102 -11.357 -1.039 0.217 1.00 32.24 N ATOM 1443 CA THR A 102 -11.264 -0.361 1.504 1.00 33.42 C ATOM 1444 C THR A 102 -9.988 -0.752 2.240 1.00 2.43 C ATOM 1445 O THR A 102 -9.281 0.103 2.775 1.00 64.05 O ATOM 1446 CB THR A 102 -12.477 -0.683 2.397 1.00 33.15 C ATOM 1447 OG1 THR A 102 -12.677 -2.100 2.460 1.00 14.44 O ATOM 1448 CG2 THR A 102 -13.734 -0.011 1.866 1.00 73.43 C ATOM 0 H THR A 102 -12.154 -1.669 0.129 1.00 32.24 H new ATOM 0 HA THR A 102 -11.248 0.709 1.297 1.00 33.42 H new ATOM 0 HB THR A 102 -12.275 -0.300 3.397 1.00 33.15 H new ATOM 0 HG1 THR A 102 -12.167 -2.469 3.211 1.00 14.44 H new ATOM 0 HG21 THR A 102 -14.577 -0.253 2.513 1.00 73.43 H new ATOM 0 HG22 THR A 102 -13.589 1.069 1.848 1.00 73.43 H new ATOM 0 HG23 THR A 102 -13.938 -0.367 0.856 1.00 73.43 H new ATOM 1456 N LYS A 103 -9.697 -2.048 2.265 1.00 52.14 N ATOM 1457 CA LYS A 103 -8.504 -2.553 2.934 1.00 40.44 C ATOM 1458 C LYS A 103 -7.242 -2.116 2.197 1.00 64.31 C ATOM 1459 O LYS A 103 -6.297 -1.618 2.808 1.00 43.54 O ATOM 1460 CB LYS A 103 -8.552 -4.080 3.024 1.00 14.53 C ATOM 1461 CG LYS A 103 -9.130 -4.593 4.332 1.00 73.24 C ATOM 1462 CD LYS A 103 -8.036 -4.953 5.322 1.00 4.42 C ATOM 1463 CE LYS A 103 -7.178 -3.745 5.668 1.00 51.12 C ATOM 1464 NZ LYS A 103 -6.215 -4.044 6.764 1.00 54.50 N ATOM 0 H LYS A 103 -10.272 -2.769 1.829 1.00 52.14 H new ATOM 0 HA LYS A 103 -8.479 -2.137 3.941 1.00 40.44 H new ATOM 0 HB2 LYS A 103 -9.148 -4.466 2.197 1.00 14.53 H new ATOM 0 HB3 LYS A 103 -7.543 -4.475 2.902 1.00 14.53 H new ATOM 0 HG2 LYS A 103 -9.779 -3.833 4.767 1.00 73.24 H new ATOM 0 HG3 LYS A 103 -9.749 -5.469 4.138 1.00 73.24 H new ATOM 0 HD2 LYS A 103 -8.484 -5.355 6.231 1.00 4.42 H new ATOM 0 HD3 LYS A 103 -7.408 -5.739 4.902 1.00 4.42 H new ATOM 0 HE2 LYS A 103 -6.631 -3.422 4.782 1.00 51.12 H new ATOM 0 HE3 LYS A 103 -7.821 -2.916 5.965 1.00 51.12 H new ATOM 0 HZ1 LYS A 103 -6.374 -3.387 7.555 1.00 54.50 H new ATOM 0 HZ2 LYS A 103 -6.355 -5.021 7.092 1.00 54.50 H new ATOM 0 HZ3 LYS A 103 -5.243 -3.933 6.412 1.00 54.50 H new ATOM 1478 N MET A 104 -7.234 -2.306 0.882 1.00 62.44 N ATOM 1479 CA MET A 104 -6.088 -1.930 0.062 1.00 0.51 C ATOM 1480 C MET A 104 -5.828 -0.429 0.148 1.00 0.14 C ATOM 1481 O MET A 104 -4.687 0.021 0.037 1.00 42.15 O ATOM 1482 CB MET A 104 -6.320 -2.336 -1.394 1.00 41.15 C ATOM 1483 CG MET A 104 -5.058 -2.800 -2.104 1.00 52.32 C ATOM 1484 SD MET A 104 -4.768 -4.570 -1.919 1.00 3.43 S ATOM 1485 CE MET A 104 -3.973 -4.616 -0.314 1.00 53.11 C ATOM 0 H MET A 104 -8.008 -2.718 0.361 1.00 62.44 H new ATOM 0 HA MET A 104 -5.212 -2.456 0.443 1.00 0.51 H new ATOM 0 HB2 MET A 104 -7.060 -3.136 -1.426 1.00 41.15 H new ATOM 0 HB3 MET A 104 -6.742 -1.489 -1.936 1.00 41.15 H new ATOM 0 HG2 MET A 104 -5.132 -2.557 -3.164 1.00 52.32 H new ATOM 0 HG3 MET A 104 -4.202 -2.252 -1.710 1.00 52.32 H new ATOM 0 HE1 MET A 104 -3.323 -5.489 -0.255 1.00 53.11 H new ATOM 0 HE2 MET A 104 -3.380 -3.712 -0.176 1.00 53.11 H new ATOM 0 HE3 MET A 104 -4.732 -4.675 0.466 1.00 53.11 H new ATOM 1495 N LEU A 105 -6.892 0.341 0.347 1.00 32.24 N ATOM 1496 CA LEU A 105 -6.779 1.792 0.448 1.00 21.34 C ATOM 1497 C LEU A 105 -6.018 2.192 1.708 1.00 3.11 C ATOM 1498 O LEU A 105 -5.330 3.213 1.732 1.00 65.32 O ATOM 1499 CB LEU A 105 -8.168 2.432 0.453 1.00 50.31 C ATOM 1500 CG LEU A 105 -8.778 2.721 -0.919 1.00 14.10 C ATOM 1501 CD1 LEU A 105 -10.293 2.821 -0.819 1.00 44.51 C ATOM 1502 CD2 LEU A 105 -8.195 3.999 -1.504 1.00 62.11 C ATOM 0 H LEU A 105 -7.843 -0.015 0.442 1.00 32.24 H new ATOM 0 HA LEU A 105 -6.224 2.150 -0.419 1.00 21.34 H new ATOM 0 HB2 LEU A 105 -8.846 1.777 0.999 1.00 50.31 H new ATOM 0 HB3 LEU A 105 -8.113 3.368 1.009 1.00 50.31 H new ATOM 0 HG LEU A 105 -8.532 1.895 -1.586 1.00 14.10 H new ATOM 0 HD11 LEU A 105 -10.710 3.027 -1.805 1.00 44.51 H new ATOM 0 HD12 LEU A 105 -10.696 1.880 -0.444 1.00 44.51 H new ATOM 0 HD13 LEU A 105 -10.560 3.628 -0.136 1.00 44.51 H new ATOM 0 HD21 LEU A 105 -8.641 4.189 -2.480 1.00 62.11 H new ATOM 0 HD22 LEU A 105 -8.410 4.835 -0.838 1.00 62.11 H new ATOM 0 HD23 LEU A 105 -7.116 3.890 -1.613 1.00 62.11 H new ATOM 1514 N TYR A 106 -6.144 1.381 2.752 1.00 33.13 N ATOM 1515 CA TYR A 106 -5.469 1.650 4.016 1.00 44.51 C ATOM 1516 C TYR A 106 -3.956 1.706 3.824 1.00 51.12 C ATOM 1517 O TYR A 106 -3.295 2.638 4.281 1.00 42.42 O ATOM 1518 CB TYR A 106 -5.824 0.578 5.047 1.00 3.23 C ATOM 1519 CG TYR A 106 -5.149 0.778 6.385 1.00 25.33 C ATOM 1520 CD1 TYR A 106 -5.575 1.770 7.260 1.00 74.23 C ATOM 1521 CD2 TYR A 106 -4.083 -0.025 6.775 1.00 54.30 C ATOM 1522 CE1 TYR A 106 -4.961 1.956 8.483 1.00 52.40 C ATOM 1523 CE2 TYR A 106 -3.464 0.154 7.997 1.00 73.31 C ATOM 1524 CZ TYR A 106 -3.907 1.146 8.847 1.00 25.42 C ATOM 1525 OH TYR A 106 -3.291 1.327 10.065 1.00 55.43 O ATOM 0 H TYR A 106 -6.708 0.531 2.748 1.00 33.13 H new ATOM 0 HA TYR A 106 -5.808 2.620 4.380 1.00 44.51 H new ATOM 0 HB2 TYR A 106 -6.904 0.569 5.192 1.00 3.23 H new ATOM 0 HB3 TYR A 106 -5.547 -0.400 4.652 1.00 3.23 H new ATOM 0 HD1 TYR A 106 -6.401 2.407 6.979 1.00 74.23 H new ATOM 0 HD2 TYR A 106 -3.733 -0.802 6.111 1.00 54.30 H new ATOM 0 HE1 TYR A 106 -5.305 2.732 9.151 1.00 52.40 H new ATOM 0 HE2 TYR A 106 -2.638 -0.479 8.285 1.00 73.31 H new ATOM 0 HH TYR A 106 -2.568 0.673 10.166 1.00 55.43 H new ATOM 1535 N SER A 107 -3.415 0.701 3.143 1.00 32.43 N ATOM 1536 CA SER A 107 -1.980 0.632 2.892 1.00 35.22 C ATOM 1537 C SER A 107 -1.531 1.779 1.993 1.00 62.15 C ATOM 1538 O SER A 107 -0.602 2.515 2.324 1.00 25.12 O ATOM 1539 CB SER A 107 -1.618 -0.708 2.249 1.00 25.11 C ATOM 1540 OG SER A 107 -0.222 -0.802 2.018 1.00 15.25 O ATOM 0 H SER A 107 -3.949 -0.077 2.755 1.00 32.43 H new ATOM 0 HA SER A 107 -1.463 0.719 3.848 1.00 35.22 H new ATOM 0 HB2 SER A 107 -1.938 -1.524 2.897 1.00 25.11 H new ATOM 0 HB3 SER A 107 -2.154 -0.819 1.307 1.00 25.11 H new ATOM 0 HG SER A 107 -0.016 -1.668 1.608 1.00 15.25 H new ATOM 1546 N SER A 108 -2.197 1.924 0.852 1.00 54.32 N ATOM 1547 CA SER A 108 -1.865 2.979 -0.099 1.00 30.12 C ATOM 1548 C SER A 108 -1.936 4.351 0.565 1.00 73.20 C ATOM 1549 O SER A 108 -1.096 5.216 0.319 1.00 52.23 O ATOM 1550 CB SER A 108 -2.813 2.930 -1.299 1.00 1.53 C ATOM 1551 OG SER A 108 -2.243 3.575 -2.425 1.00 32.30 O ATOM 0 H SER A 108 -2.970 1.324 0.563 1.00 54.32 H new ATOM 0 HA SER A 108 -0.844 2.815 -0.445 1.00 30.12 H new ATOM 0 HB2 SER A 108 -3.039 1.893 -1.546 1.00 1.53 H new ATOM 0 HB3 SER A 108 -3.757 3.409 -1.041 1.00 1.53 H new ATOM 0 HG SER A 108 -2.867 3.529 -3.179 1.00 32.30 H new ATOM 1557 N SER A 109 -2.946 4.541 1.408 1.00 1.52 N ATOM 1558 CA SER A 109 -3.131 5.809 2.105 1.00 24.25 C ATOM 1559 C SER A 109 -2.123 5.956 3.241 1.00 22.24 C ATOM 1560 O SER A 109 -1.772 7.068 3.634 1.00 3.53 O ATOM 1561 CB SER A 109 -4.555 5.910 2.656 1.00 64.34 C ATOM 1562 OG SER A 109 -4.689 5.176 3.860 1.00 31.52 O ATOM 0 H SER A 109 -3.648 3.834 1.625 1.00 1.52 H new ATOM 0 HA SER A 109 -2.968 6.615 1.390 1.00 24.25 H new ATOM 0 HB2 SER A 109 -4.806 6.956 2.834 1.00 64.34 H new ATOM 0 HB3 SER A 109 -5.262 5.534 1.917 1.00 64.34 H new ATOM 0 HG SER A 109 -4.188 4.337 3.789 1.00 31.52 H new ATOM 1568 N ARG A 110 -1.661 4.825 3.765 1.00 75.43 N ATOM 1569 CA ARG A 110 -0.695 4.826 4.856 1.00 11.13 C ATOM 1570 C ARG A 110 0.617 5.470 4.420 1.00 45.04 C ATOM 1571 O ARG A 110 1.244 6.205 5.183 1.00 22.20 O ATOM 1572 CB ARG A 110 -0.439 3.398 5.341 1.00 65.24 C ATOM 1573 CG ARG A 110 -0.752 3.188 6.813 1.00 11.41 C ATOM 1574 CD ARG A 110 0.506 3.253 7.665 1.00 32.31 C ATOM 1575 NE ARG A 110 0.686 2.045 8.467 1.00 44.35 N ATOM 1576 CZ ARG A 110 1.152 0.901 7.977 1.00 2.44 C ATOM 1577 NH1 ARG A 110 1.483 0.810 6.697 1.00 41.12 N ATOM 1578 NH2 ARG A 110 1.288 -0.154 8.770 1.00 3.01 N ATOM 0 H ARG A 110 -1.941 3.896 3.451 1.00 75.43 H new ATOM 0 HA ARG A 110 -1.112 5.411 5.676 1.00 11.13 H new ATOM 0 HB2 ARG A 110 -1.041 2.709 4.749 1.00 65.24 H new ATOM 0 HB3 ARG A 110 0.606 3.144 5.161 1.00 65.24 H new ATOM 0 HG2 ARG A 110 -1.459 3.947 7.148 1.00 11.41 H new ATOM 0 HG3 ARG A 110 -1.235 2.220 6.949 1.00 11.41 H new ATOM 0 HD2 ARG A 110 1.374 3.393 7.020 1.00 32.31 H new ATOM 0 HD3 ARG A 110 0.454 4.121 8.323 1.00 32.31 H new ATOM 0 HE ARG A 110 0.441 2.082 9.456 1.00 44.35 H new ATOM 0 HH11 ARG A 110 1.380 1.619 6.085 1.00 41.12 H new ATOM 0 HH12 ARG A 110 1.840 -0.069 6.324 1.00 41.12 H new ATOM 0 HH21 ARG A 110 1.035 -0.087 9.756 1.00 3.01 H new ATOM 0 HH22 ARG A 110 1.646 -1.032 8.394 1.00 3.01 H new ATOM 1592 N ASP A 111 1.027 5.189 3.188 1.00 62.44 N ATOM 1593 CA ASP A 111 2.265 5.740 2.649 1.00 52.43 C ATOM 1594 C ASP A 111 2.164 7.255 2.499 1.00 44.21 C ATOM 1595 O ASP A 111 3.135 7.977 2.727 1.00 34.01 O ATOM 1596 CB ASP A 111 2.587 5.102 1.297 1.00 73.14 C ATOM 1597 CG ASP A 111 4.057 5.204 0.943 1.00 4.54 C ATOM 1598 OD1 ASP A 111 4.894 4.754 1.753 1.00 64.30 O ATOM 1599 OD2 ASP A 111 4.372 5.736 -0.142 1.00 53.32 O ATOM 0 H ASP A 111 0.520 4.583 2.543 1.00 62.44 H new ATOM 0 HA ASP A 111 3.070 5.514 3.349 1.00 52.43 H new ATOM 0 HB2 ASP A 111 2.293 4.053 1.315 1.00 73.14 H new ATOM 0 HB3 ASP A 111 1.995 5.586 0.520 1.00 73.14 H new ATOM 1604 N ALA A 112 0.985 7.730 2.113 1.00 74.43 N ATOM 1605 CA ALA A 112 0.757 9.158 1.933 1.00 3.22 C ATOM 1606 C ALA A 112 0.520 9.849 3.272 1.00 72.31 C ATOM 1607 O ALA A 112 0.825 11.031 3.435 1.00 21.12 O ATOM 1608 CB ALA A 112 -0.422 9.392 1.000 1.00 24.12 C ATOM 0 H ALA A 112 0.172 7.146 1.919 1.00 74.43 H new ATOM 0 HA ALA A 112 1.652 9.589 1.484 1.00 3.22 H new ATOM 0 HB1 ALA A 112 -0.580 10.463 0.875 1.00 24.12 H new ATOM 0 HB2 ALA A 112 -0.214 8.941 0.030 1.00 24.12 H new ATOM 0 HB3 ALA A 112 -1.318 8.940 1.426 1.00 24.12 H new ATOM 1614 N LEU A 113 -0.027 9.105 4.227 1.00 21.11 N ATOM 1615 CA LEU A 113 -0.306 9.646 5.553 1.00 52.13 C ATOM 1616 C LEU A 113 0.941 9.609 6.430 1.00 42.42 C ATOM 1617 O LEU A 113 1.062 10.373 7.388 1.00 32.32 O ATOM 1618 CB LEU A 113 -1.436 8.859 6.219 1.00 24.52 C ATOM 1619 CG LEU A 113 -2.832 9.475 6.123 1.00 64.04 C ATOM 1620 CD1 LEU A 113 -3.895 8.388 6.098 1.00 23.33 C ATOM 1621 CD2 LEU A 113 -3.073 10.433 7.280 1.00 44.43 C ATOM 0 H LEU A 113 -0.286 8.126 4.108 1.00 21.11 H new ATOM 0 HA LEU A 113 -0.615 10.685 5.437 1.00 52.13 H new ATOM 0 HB2 LEU A 113 -1.469 7.864 5.775 1.00 24.52 H new ATOM 0 HB3 LEU A 113 -1.190 8.730 7.273 1.00 24.52 H new ATOM 0 HG LEU A 113 -2.896 10.038 5.192 1.00 64.04 H new ATOM 0 HD11 LEU A 113 -4.882 8.846 6.029 1.00 23.33 H new ATOM 0 HD12 LEU A 113 -3.734 7.742 5.235 1.00 23.33 H new ATOM 0 HD13 LEU A 113 -3.832 7.796 7.011 1.00 23.33 H new ATOM 0 HD21 LEU A 113 -4.071 10.862 7.195 1.00 44.43 H new ATOM 0 HD22 LEU A 113 -2.989 9.893 8.223 1.00 44.43 H new ATOM 0 HD23 LEU A 113 -2.332 11.231 7.252 1.00 44.43 H new ATOM 1633 N VAL A 114 1.868 8.718 6.094 1.00 24.01 N ATOM 1634 CA VAL A 114 3.109 8.584 6.849 1.00 74.22 C ATOM 1635 C VAL A 114 3.798 9.933 7.017 1.00 65.12 C ATOM 1636 O VAL A 114 4.093 10.373 8.128 1.00 1.41 O ATOM 1637 CB VAL A 114 4.080 7.605 6.163 1.00 71.21 C ATOM 1638 CG1 VAL A 114 5.522 7.989 6.457 1.00 50.11 C ATOM 1639 CG2 VAL A 114 3.799 6.177 6.607 1.00 52.20 C ATOM 0 H VAL A 114 1.784 8.078 5.304 1.00 24.01 H new ATOM 0 HA VAL A 114 2.842 8.191 7.830 1.00 74.22 H new ATOM 0 HB VAL A 114 3.926 7.663 5.086 1.00 71.21 H new ATOM 0 HG11 VAL A 114 6.193 7.286 5.964 1.00 50.11 H new ATOM 0 HG12 VAL A 114 5.714 8.995 6.085 1.00 50.11 H new ATOM 0 HG13 VAL A 114 5.694 7.961 7.533 1.00 50.11 H new ATOM 0 HG21 VAL A 114 4.494 5.499 6.112 1.00 52.20 H new ATOM 0 HG22 VAL A 114 3.924 6.101 7.687 1.00 52.20 H new ATOM 0 HG23 VAL A 114 2.777 5.907 6.340 1.00 52.20 H new ATOM 1649 N PRO A 115 4.063 10.607 5.888 1.00 72.14 N ATOM 1650 CA PRO A 115 4.720 11.917 5.883 1.00 24.03 C ATOM 1651 C PRO A 115 3.826 13.016 6.446 1.00 41.40 C ATOM 1652 O PRO A 115 4.307 13.963 7.071 1.00 73.04 O ATOM 1653 CB PRO A 115 5.005 12.166 4.400 1.00 41.00 C ATOM 1654 CG PRO A 115 3.984 11.358 3.677 1.00 34.53 C ATOM 1655 CD PRO A 115 3.740 10.142 4.528 1.00 13.03 C ATOM 0 HA PRO A 115 5.612 11.928 6.510 1.00 24.03 H new ATOM 0 HB2 PRO A 115 4.920 13.224 4.153 1.00 41.00 H new ATOM 0 HB3 PRO A 115 6.016 11.857 4.134 1.00 41.00 H new ATOM 0 HG2 PRO A 115 3.065 11.926 3.536 1.00 34.53 H new ATOM 0 HG3 PRO A 115 4.340 11.076 2.686 1.00 34.53 H new ATOM 0 HD2 PRO A 115 2.707 9.801 4.455 1.00 13.03 H new ATOM 0 HD3 PRO A 115 4.374 9.307 4.228 1.00 13.03 H new ATOM 1663 N LEU A 116 2.523 12.885 6.222 1.00 43.55 N ATOM 1664 CA LEU A 116 1.561 13.868 6.707 1.00 12.31 C ATOM 1665 C LEU A 116 1.502 13.866 8.231 1.00 32.23 C ATOM 1666 O LEU A 116 1.453 14.921 8.864 1.00 53.32 O ATOM 1667 CB LEU A 116 0.173 13.580 6.131 1.00 3.01 C ATOM 1668 CG LEU A 116 -0.548 14.767 5.491 1.00 23.03 C ATOM 1669 CD1 LEU A 116 -0.830 15.842 6.529 1.00 53.31 C ATOM 1670 CD2 LEU A 116 0.274 15.334 4.343 1.00 41.21 C ATOM 0 H LEU A 116 2.109 12.108 5.708 1.00 43.55 H new ATOM 0 HA LEU A 116 1.888 14.854 6.376 1.00 12.31 H new ATOM 0 HB2 LEU A 116 0.268 12.792 5.383 1.00 3.01 H new ATOM 0 HB3 LEU A 116 -0.455 13.187 6.930 1.00 3.01 H new ATOM 0 HG LEU A 116 -1.500 14.418 5.092 1.00 23.03 H new ATOM 0 HD11 LEU A 116 -1.343 16.679 6.056 1.00 53.31 H new ATOM 0 HD12 LEU A 116 -1.459 15.430 7.318 1.00 53.31 H new ATOM 0 HD13 LEU A 116 0.110 16.189 6.958 1.00 53.31 H new ATOM 0 HD21 LEU A 116 -0.254 16.178 3.899 1.00 41.21 H new ATOM 0 HD22 LEU A 116 1.241 15.668 4.718 1.00 41.21 H new ATOM 0 HD23 LEU A 116 0.425 14.563 3.588 1.00 41.21 H new ATOM 1682 N THR A 117 1.509 12.672 8.817 1.00 50.22 N ATOM 1683 CA THR A 117 1.457 12.532 10.266 1.00 24.35 C ATOM 1684 C THR A 117 2.766 11.970 10.811 1.00 14.24 C ATOM 1685 O THR A 117 2.799 10.865 11.351 1.00 64.41 O ATOM 1686 CB THR A 117 0.298 11.615 10.701 1.00 0.42 C ATOM 1687 OG1 THR A 117 0.236 10.466 9.849 1.00 12.32 O ATOM 1688 CG2 THR A 117 -1.027 12.360 10.654 1.00 55.50 C ATOM 0 H THR A 117 1.550 11.788 8.309 1.00 50.22 H new ATOM 0 HA THR A 117 1.294 13.529 10.674 1.00 24.35 H new ATOM 0 HB THR A 117 0.481 11.296 11.727 1.00 0.42 H new ATOM 0 HG1 THR A 117 0.235 10.753 8.912 1.00 12.32 H new ATOM 0 HG21 THR A 117 -1.831 11.693 10.965 1.00 55.50 H new ATOM 0 HG22 THR A 117 -0.986 13.217 11.326 1.00 55.50 H new ATOM 0 HG23 THR A 117 -1.215 12.705 9.637 1.00 55.50 H new ATOM 1696 N GLN A 118 3.840 12.739 10.667 1.00 10.22 N ATOM 1697 CA GLN A 118 5.151 12.317 11.146 1.00 70.13 C ATOM 1698 C GLN A 118 5.251 12.464 12.660 1.00 11.14 C ATOM 1699 O GLN A 118 5.064 13.553 13.202 1.00 32.31 O ATOM 1700 CB GLN A 118 6.252 13.134 10.468 1.00 2.32 C ATOM 1701 CG GLN A 118 7.528 12.346 10.217 1.00 12.44 C ATOM 1702 CD GLN A 118 8.587 13.163 9.503 1.00 30.50 C ATOM 1703 OE1 GLN A 118 9.543 13.635 10.119 1.00 52.43 O ATOM 1704 NE2 GLN A 118 8.423 13.332 8.196 1.00 14.13 N ATOM 0 H GLN A 118 3.828 13.657 10.223 1.00 10.22 H new ATOM 0 HA GLN A 118 5.281 11.265 10.893 1.00 70.13 H new ATOM 0 HB2 GLN A 118 5.877 13.515 9.518 1.00 2.32 H new ATOM 0 HB3 GLN A 118 6.485 13.999 11.089 1.00 2.32 H new ATOM 0 HG2 GLN A 118 7.926 11.994 11.169 1.00 12.44 H new ATOM 0 HG3 GLN A 118 7.294 11.463 9.623 1.00 12.44 H new ATOM 0 HE21 GLN A 118 7.615 12.923 7.726 1.00 14.13 H new ATOM 0 HE22 GLN A 118 9.105 13.871 7.662 1.00 14.13 H new ATOM 1713 N GLY A 119 5.547 11.360 13.339 1.00 21.23 N ATOM 1714 CA GLY A 119 5.666 11.387 14.785 1.00 2.53 C ATOM 1715 C GLY A 119 4.499 10.710 15.476 1.00 3.33 C ATOM 1716 O GLY A 119 4.684 9.980 16.450 1.00 71.52 O ATOM 0 H GLY A 119 5.707 10.447 12.913 1.00 21.23 H new ATOM 0 HA2 GLY A 119 6.593 10.895 15.079 1.00 2.53 H new ATOM 0 HA3 GLY A 119 5.733 12.422 15.122 1.00 2.53 H new ATOM 1720 N PHE A 120 3.294 10.954 14.974 1.00 55.34 N ATOM 1721 CA PHE A 120 2.091 10.365 15.551 1.00 61.44 C ATOM 1722 C PHE A 120 2.027 8.868 15.262 1.00 21.41 C ATOM 1723 O PHE A 120 2.562 8.396 14.259 1.00 33.42 O ATOM 1724 CB PHE A 120 0.843 11.056 14.998 1.00 71.21 C ATOM 1725 CG PHE A 120 0.944 12.554 14.983 1.00 3.31 C ATOM 1726 CD1 PHE A 120 1.463 13.237 16.071 1.00 11.44 C ATOM 1727 CD2 PHE A 120 0.522 13.280 13.881 1.00 74.40 C ATOM 1728 CE1 PHE A 120 1.557 14.616 16.061 1.00 54.35 C ATOM 1729 CE2 PHE A 120 0.613 14.659 13.864 1.00 22.32 C ATOM 1730 CZ PHE A 120 1.132 15.328 14.955 1.00 24.32 C ATOM 0 H PHE A 120 3.124 11.556 14.168 1.00 55.34 H new ATOM 0 HA PHE A 120 2.128 10.508 16.631 1.00 61.44 H new ATOM 0 HB2 PHE A 120 0.661 10.702 13.983 1.00 71.21 H new ATOM 0 HB3 PHE A 120 -0.020 10.764 15.597 1.00 71.21 H new ATOM 0 HD1 PHE A 120 1.798 12.685 16.937 1.00 11.44 H new ATOM 0 HD2 PHE A 120 0.117 12.762 13.024 1.00 74.40 H new ATOM 0 HE1 PHE A 120 1.962 15.137 16.916 1.00 54.35 H new ATOM 0 HE2 PHE A 120 0.279 15.212 12.999 1.00 22.32 H new ATOM 0 HZ PHE A 120 1.206 16.405 14.944 1.00 24.32 H new ATOM 1740 N GLN A 121 1.370 8.128 16.149 1.00 31.32 N ATOM 1741 CA GLN A 121 1.237 6.684 15.991 1.00 41.33 C ATOM 1742 C GLN A 121 -0.135 6.322 15.432 1.00 62.03 C ATOM 1743 O GLN A 121 -1.163 6.741 15.962 1.00 2.00 O ATOM 1744 CB GLN A 121 1.457 5.980 17.331 1.00 40.51 C ATOM 1745 CG GLN A 121 2.907 5.979 17.787 1.00 42.23 C ATOM 1746 CD GLN A 121 3.081 6.543 19.183 1.00 35.13 C ATOM 1747 OE1 GLN A 121 3.877 7.456 19.402 1.00 22.13 O ATOM 1748 NE2 GLN A 121 2.333 6.001 20.138 1.00 62.33 N ATOM 0 H GLN A 121 0.921 8.504 16.984 1.00 31.32 H new ATOM 0 HA GLN A 121 1.997 6.350 15.285 1.00 41.33 H new ATOM 0 HB2 GLN A 121 0.846 6.466 18.092 1.00 40.51 H new ATOM 0 HB3 GLN A 121 1.109 4.950 17.252 1.00 40.51 H new ATOM 0 HG2 GLN A 121 3.291 4.959 17.761 1.00 42.23 H new ATOM 0 HG3 GLN A 121 3.504 6.563 17.087 1.00 42.23 H new ATOM 0 HE21 GLN A 121 1.686 5.246 19.912 1.00 62.33 H new ATOM 0 HE22 GLN A 121 2.406 6.340 21.097 1.00 62.33 H new ATOM 1757 N GLY A 122 -0.143 5.540 14.356 1.00 2.21 N ATOM 1758 CA GLY A 122 -1.394 5.135 13.743 1.00 50.13 C ATOM 1759 C GLY A 122 -1.677 3.657 13.925 1.00 15.32 C ATOM 1760 O GLY A 122 -0.840 2.814 13.605 1.00 64.25 O ATOM 0 H GLY A 122 0.695 5.180 13.899 1.00 2.21 H new ATOM 0 HA2 GLY A 122 -2.211 5.714 14.174 1.00 50.13 H new ATOM 0 HA3 GLY A 122 -1.366 5.368 12.679 1.00 50.13 H new ATOM 1764 N ILE A 123 -2.860 3.343 14.443 1.00 71.23 N ATOM 1765 CA ILE A 123 -3.251 1.957 14.668 1.00 63.43 C ATOM 1766 C ILE A 123 -4.627 1.671 14.077 1.00 34.34 C ATOM 1767 O ILE A 123 -5.543 2.485 14.191 1.00 41.10 O ATOM 1768 CB ILE A 123 -3.267 1.613 16.169 1.00 62.21 C ATOM 1769 CG1 ILE A 123 -1.957 2.049 16.828 1.00 24.52 C ATOM 1770 CG2 ILE A 123 -3.496 0.122 16.368 1.00 14.24 C ATOM 1771 CD1 ILE A 123 -1.997 3.457 17.379 1.00 25.32 C ATOM 0 H ILE A 123 -3.564 4.029 14.715 1.00 71.23 H new ATOM 0 HA ILE A 123 -2.508 1.335 14.169 1.00 63.43 H new ATOM 0 HB ILE A 123 -4.087 2.153 16.642 1.00 62.21 H new ATOM 0 HG12 ILE A 123 -1.719 1.358 17.636 1.00 24.52 H new ATOM 0 HG13 ILE A 123 -1.151 1.976 16.098 1.00 24.52 H new ATOM 0 HG21 ILE A 123 -3.505 -0.106 17.434 1.00 14.24 H new ATOM 0 HG22 ILE A 123 -4.453 -0.161 15.929 1.00 14.24 H new ATOM 0 HG23 ILE A 123 -2.695 -0.437 15.884 1.00 14.24 H new ATOM 0 HD11 ILE A 123 -1.035 3.698 17.831 1.00 25.32 H new ATOM 0 HD12 ILE A 123 -2.204 4.158 16.571 1.00 25.32 H new ATOM 0 HD13 ILE A 123 -2.781 3.531 18.133 1.00 25.32 H new ATOM 1783 N GLN A 124 -4.766 0.508 13.449 1.00 63.22 N ATOM 1784 CA GLN A 124 -6.032 0.114 12.842 1.00 44.13 C ATOM 1785 C GLN A 124 -6.631 -1.088 13.564 1.00 51.00 C ATOM 1786 O GLN A 124 -6.046 -2.170 13.579 1.00 21.42 O ATOM 1787 CB GLN A 124 -5.831 -0.214 11.361 1.00 12.50 C ATOM 1788 CG GLN A 124 -4.797 -1.300 11.113 1.00 51.33 C ATOM 1789 CD GLN A 124 -5.411 -2.579 10.580 1.00 60.14 C ATOM 1790 OE1 GLN A 124 -6.013 -2.592 9.506 1.00 52.24 O ATOM 1791 NE2 GLN A 124 -5.261 -3.665 11.329 1.00 14.01 N ATOM 0 H GLN A 124 -4.018 -0.178 13.347 1.00 63.22 H new ATOM 0 HA GLN A 124 -6.725 0.951 12.931 1.00 44.13 H new ATOM 0 HB2 GLN A 124 -6.784 -0.527 10.934 1.00 12.50 H new ATOM 0 HB3 GLN A 124 -5.528 0.691 10.835 1.00 12.50 H new ATOM 0 HG2 GLN A 124 -4.055 -0.934 10.403 1.00 51.33 H new ATOM 0 HG3 GLN A 124 -4.270 -1.514 12.043 1.00 51.33 H new ATOM 0 HE21 GLN A 124 -4.755 -3.609 12.213 1.00 14.01 H new ATOM 0 HE22 GLN A 124 -5.652 -4.555 11.021 1.00 14.01 H new ATOM 1800 N ALA A 125 -7.801 -0.890 14.162 1.00 53.42 N ATOM 1801 CA ALA A 125 -8.481 -1.958 14.884 1.00 3.35 C ATOM 1802 C ALA A 125 -9.995 -1.812 14.783 1.00 13.14 C ATOM 1803 O ALA A 125 -10.529 -0.707 14.872 1.00 31.11 O ATOM 1804 CB ALA A 125 -8.046 -1.968 16.342 1.00 22.15 C ATOM 0 H ALA A 125 -8.298 0.001 14.161 1.00 53.42 H new ATOM 0 HA ALA A 125 -8.203 -2.907 14.426 1.00 3.35 H new ATOM 0 HB1 ALA A 125 -8.561 -2.770 16.870 1.00 22.15 H new ATOM 0 HB2 ALA A 125 -6.969 -2.129 16.399 1.00 22.15 H new ATOM 0 HB3 ALA A 125 -8.295 -1.012 16.803 1.00 22.15 H new ATOM 1810 N ASN A 126 -10.682 -2.934 14.596 1.00 30.34 N ATOM 1811 CA ASN A 126 -12.136 -2.931 14.482 1.00 41.32 C ATOM 1812 C ASN A 126 -12.788 -3.285 15.815 1.00 4.11 C ATOM 1813 O ASN A 126 -12.191 -3.968 16.647 1.00 23.23 O ATOM 1814 CB ASN A 126 -12.586 -3.918 13.403 1.00 23.33 C ATOM 1815 CG ASN A 126 -12.703 -5.336 13.930 1.00 54.41 C ATOM 1816 OD1 ASN A 126 -11.850 -5.802 14.685 1.00 61.03 O ATOM 1817 ND2 ASN A 126 -13.765 -6.028 13.533 1.00 64.03 N ATOM 0 H ASN A 126 -10.255 -3.857 14.520 1.00 30.34 H new ATOM 0 HA ASN A 126 -12.451 -1.926 14.200 1.00 41.32 H new ATOM 0 HB2 ASN A 126 -13.549 -3.601 13.003 1.00 23.33 H new ATOM 0 HB3 ASN A 126 -11.876 -3.898 12.577 1.00 23.33 H new ATOM 0 HD21 ASN A 126 -13.899 -6.987 13.855 1.00 64.03 H new ATOM 0 HD22 ASN A 126 -14.447 -5.601 12.906 1.00 64.03 H new ATOM 1824 N ASP A 127 -14.015 -2.816 16.010 1.00 31.02 N ATOM 1825 CA ASP A 127 -14.749 -3.084 17.241 1.00 32.24 C ATOM 1826 C ASP A 127 -14.054 -2.445 18.439 1.00 3.11 C ATOM 1827 O ASP A 127 -13.228 -1.546 18.283 1.00 55.52 O ATOM 1828 CB ASP A 127 -14.886 -4.592 17.460 1.00 15.34 C ATOM 1829 CG ASP A 127 -16.260 -4.980 17.972 1.00 3.33 C ATOM 1830 OD1 ASP A 127 -16.711 -4.382 18.971 1.00 2.32 O ATOM 1831 OD2 ASP A 127 -16.883 -5.882 17.374 1.00 31.04 O ATOM 0 H ASP A 127 -14.523 -2.248 15.331 1.00 31.02 H new ATOM 0 HA ASP A 127 -15.743 -2.646 17.145 1.00 32.24 H new ATOM 0 HB2 ASP A 127 -14.691 -5.112 16.522 1.00 15.34 H new ATOM 0 HB3 ASP A 127 -14.129 -4.923 18.171 1.00 15.34 H new ATOM 1836 N ALA A 128 -14.394 -2.915 19.635 1.00 62.12 N ATOM 1837 CA ALA A 128 -13.801 -2.390 20.859 1.00 75.22 C ATOM 1838 C ALA A 128 -12.279 -2.409 20.784 1.00 65.32 C ATOM 1839 O ALA A 128 -11.605 -1.621 21.447 1.00 21.24 O ATOM 1840 CB ALA A 128 -14.283 -3.187 22.062 1.00 23.40 C ATOM 0 H ALA A 128 -15.077 -3.658 19.782 1.00 62.12 H new ATOM 0 HA ALA A 128 -14.119 -1.354 20.972 1.00 75.22 H new ATOM 0 HB1 ALA A 128 -13.833 -2.784 22.969 1.00 23.40 H new ATOM 0 HB2 ALA A 128 -15.368 -3.117 22.134 1.00 23.40 H new ATOM 0 HB3 ALA A 128 -13.994 -4.232 21.946 1.00 23.40 H new ATOM 1846 N SER A 129 -11.742 -3.315 19.972 1.00 1.02 N ATOM 1847 CA SER A 129 -10.298 -3.440 19.814 1.00 3.43 C ATOM 1848 C SER A 129 -9.693 -2.136 19.302 1.00 23.02 C ATOM 1849 O SER A 129 -8.508 -1.868 19.500 1.00 73.43 O ATOM 1850 CB SER A 129 -9.965 -4.582 18.852 1.00 13.14 C ATOM 1851 OG SER A 129 -9.002 -5.457 19.413 1.00 32.13 O ATOM 0 H SER A 129 -12.286 -3.973 19.414 1.00 1.02 H new ATOM 0 HA SER A 129 -9.868 -3.661 20.791 1.00 3.43 H new ATOM 0 HB2 SER A 129 -10.872 -5.138 18.615 1.00 13.14 H new ATOM 0 HB3 SER A 129 -9.587 -4.174 17.915 1.00 13.14 H new ATOM 0 HG SER A 129 -8.808 -6.179 18.779 1.00 32.13 H new ATOM 1857 N GLY A 130 -10.517 -1.328 18.642 1.00 4.51 N ATOM 1858 CA GLY A 130 -10.046 -0.062 18.111 1.00 10.51 C ATOM 1859 C GLY A 130 -10.730 1.128 18.756 1.00 61.32 C ATOM 1860 O GLY A 130 -10.886 2.178 18.131 1.00 23.21 O ATOM 0 H GLY A 130 -11.502 -1.527 18.466 1.00 4.51 H new ATOM 0 HA2 GLY A 130 -8.970 0.015 18.264 1.00 10.51 H new ATOM 0 HA3 GLY A 130 -10.218 -0.036 17.035 1.00 10.51 H new ATOM 1864 N LEU A 131 -11.141 0.964 20.008 1.00 10.14 N ATOM 1865 CA LEU A 131 -11.814 2.033 20.738 1.00 32.25 C ATOM 1866 C LEU A 131 -11.484 1.968 22.226 1.00 31.32 C ATOM 1867 O LEU A 131 -12.185 2.550 23.054 1.00 73.11 O ATOM 1868 CB LEU A 131 -13.328 1.941 20.536 1.00 64.03 C ATOM 1869 CG LEU A 131 -13.805 1.824 19.088 1.00 41.43 C ATOM 1870 CD1 LEU A 131 -15.264 1.397 19.039 1.00 3.13 C ATOM 1871 CD2 LEU A 131 -13.609 3.143 18.354 1.00 62.23 C ATOM 0 H LEU A 131 -11.020 0.102 20.539 1.00 10.14 H new ATOM 0 HA LEU A 131 -11.458 2.986 20.347 1.00 32.25 H new ATOM 0 HB2 LEU A 131 -13.697 1.078 21.090 1.00 64.03 H new ATOM 0 HB3 LEU A 131 -13.788 2.824 20.979 1.00 64.03 H new ATOM 0 HG LEU A 131 -13.207 1.061 18.590 1.00 41.43 H new ATOM 0 HD11 LEU A 131 -15.586 1.319 18.000 1.00 3.13 H new ATOM 0 HD12 LEU A 131 -15.376 0.429 19.527 1.00 3.13 H new ATOM 0 HD13 LEU A 131 -15.877 2.137 19.554 1.00 3.13 H new ATOM 0 HD21 LEU A 131 -13.954 3.041 17.325 1.00 62.23 H new ATOM 0 HD22 LEU A 131 -14.181 3.925 18.853 1.00 62.23 H new ATOM 0 HD23 LEU A 131 -12.552 3.408 18.358 1.00 62.23 H new ATOM 1883 N ASP A 132 -10.412 1.258 22.558 1.00 24.43 N ATOM 1884 CA ASP A 132 -9.986 1.119 23.946 1.00 11.02 C ATOM 1885 C ASP A 132 -9.316 2.398 24.439 1.00 31.24 C ATOM 1886 O ASP A 132 -8.123 2.610 24.221 1.00 52.11 O ATOM 1887 CB ASP A 132 -9.027 -0.063 24.092 1.00 23.13 C ATOM 1888 CG ASP A 132 -9.745 -1.398 24.065 1.00 65.11 C ATOM 1889 OD1 ASP A 132 -10.899 -1.461 24.537 1.00 74.04 O ATOM 1890 OD2 ASP A 132 -9.152 -2.380 23.571 1.00 1.11 O ATOM 0 H ASP A 132 -9.822 0.769 21.885 1.00 24.43 H new ATOM 0 HA ASP A 132 -10.871 0.935 24.555 1.00 11.02 H new ATOM 0 HB2 ASP A 132 -8.292 -0.033 23.287 1.00 23.13 H new ATOM 0 HB3 ASP A 132 -8.478 0.032 25.029 1.00 23.13 H new ATOM 1895 N PHE A 133 -10.092 3.247 25.105 1.00 43.32 N ATOM 1896 CA PHE A 133 -9.574 4.507 25.627 1.00 31.52 C ATOM 1897 C PHE A 133 -8.321 4.273 26.466 1.00 12.23 C ATOM 1898 O PHE A 133 -7.366 5.046 26.402 1.00 52.43 O ATOM 1899 CB PHE A 133 -10.641 5.211 26.468 1.00 2.21 C ATOM 1900 CG PHE A 133 -10.229 6.577 26.937 1.00 5.20 C ATOM 1901 CD1 PHE A 133 -9.542 6.737 28.130 1.00 32.41 C ATOM 1902 CD2 PHE A 133 -10.527 7.702 26.185 1.00 62.23 C ATOM 1903 CE1 PHE A 133 -9.163 7.993 28.564 1.00 25.42 C ATOM 1904 CE2 PHE A 133 -10.149 8.960 26.613 1.00 12.45 C ATOM 1905 CZ PHE A 133 -9.465 9.106 27.804 1.00 32.35 C ATOM 0 H PHE A 133 -11.081 3.086 25.296 1.00 43.32 H new ATOM 0 HA PHE A 133 -9.310 5.142 24.781 1.00 31.52 H new ATOM 0 HB2 PHE A 133 -11.556 5.297 25.882 1.00 2.21 H new ATOM 0 HB3 PHE A 133 -10.875 4.593 27.335 1.00 2.21 H new ATOM 0 HD1 PHE A 133 -9.300 5.870 28.727 1.00 32.41 H new ATOM 0 HD2 PHE A 133 -11.061 7.594 25.253 1.00 62.23 H new ATOM 0 HE1 PHE A 133 -8.631 8.104 29.497 1.00 25.42 H new ATOM 0 HE2 PHE A 133 -10.388 9.828 26.017 1.00 12.45 H new ATOM 0 HZ PHE A 133 -9.167 10.088 28.140 1.00 32.35 H new ATOM 1915 N GLU A 134 -8.334 3.202 27.253 1.00 32.14 N ATOM 1916 CA GLU A 134 -7.200 2.868 28.106 1.00 23.33 C ATOM 1917 C GLU A 134 -5.991 2.459 27.269 1.00 52.31 C ATOM 1918 O GLU A 134 -4.847 2.693 27.657 1.00 32.34 O ATOM 1919 CB GLU A 134 -7.572 1.738 29.069 1.00 53.02 C ATOM 1920 CG GLU A 134 -6.679 1.664 30.296 1.00 41.43 C ATOM 1921 CD GLU A 134 -7.377 1.042 31.489 1.00 12.33 C ATOM 1922 OE1 GLU A 134 -7.544 -0.195 31.500 1.00 71.45 O ATOM 1923 OE2 GLU A 134 -7.757 1.792 32.413 1.00 40.45 O ATOM 0 H GLU A 134 -9.117 2.551 27.317 1.00 32.14 H new ATOM 0 HA GLU A 134 -6.939 3.756 28.682 1.00 23.33 H new ATOM 0 HB2 GLU A 134 -8.605 1.871 29.390 1.00 53.02 H new ATOM 0 HB3 GLU A 134 -7.523 0.788 28.537 1.00 53.02 H new ATOM 0 HG2 GLU A 134 -5.788 1.083 30.058 1.00 41.43 H new ATOM 0 HG3 GLU A 134 -6.344 2.668 30.558 1.00 41.43 H new ATOM 1930 N GLU A 135 -6.255 1.848 26.118 1.00 31.13 N ATOM 1931 CA GLU A 135 -5.189 1.406 25.227 1.00 72.21 C ATOM 1932 C GLU A 135 -4.497 2.598 24.573 1.00 1.32 C ATOM 1933 O GLU A 135 -3.268 2.676 24.544 1.00 54.43 O ATOM 1934 CB GLU A 135 -5.748 0.474 24.150 1.00 34.41 C ATOM 1935 CG GLU A 135 -4.711 0.026 23.134 1.00 52.33 C ATOM 1936 CD GLU A 135 -5.230 -1.058 22.210 1.00 62.34 C ATOM 1937 OE1 GLU A 135 -6.036 -0.736 21.312 1.00 73.41 O ATOM 1938 OE2 GLU A 135 -4.830 -2.228 22.384 1.00 61.31 O ATOM 0 H GLU A 135 -7.197 1.648 25.781 1.00 31.13 H new ATOM 0 HA GLU A 135 -4.455 0.863 25.822 1.00 72.21 H new ATOM 0 HB2 GLU A 135 -6.178 -0.405 24.630 1.00 34.41 H new ATOM 0 HB3 GLU A 135 -6.560 0.981 23.628 1.00 34.41 H new ATOM 0 HG2 GLU A 135 -4.395 0.884 22.540 1.00 52.33 H new ATOM 0 HG3 GLU A 135 -3.829 -0.341 23.659 1.00 52.33 H new ATOM 1945 N ILE A 136 -5.294 3.524 24.050 1.00 30.23 N ATOM 1946 CA ILE A 136 -4.759 4.712 23.398 1.00 44.13 C ATOM 1947 C ILE A 136 -4.061 5.623 24.402 1.00 45.24 C ATOM 1948 O ILE A 136 -3.034 6.229 24.096 1.00 4.20 O ATOM 1949 CB ILE A 136 -5.866 5.508 22.682 1.00 3.50 C ATOM 1950 CG1 ILE A 136 -7.046 5.744 23.626 1.00 35.22 C ATOM 1951 CG2 ILE A 136 -6.320 4.775 21.429 1.00 34.22 C ATOM 1952 CD1 ILE A 136 -8.112 6.649 23.048 1.00 63.32 C ATOM 0 H ILE A 136 -6.313 3.474 24.065 1.00 30.23 H new ATOM 0 HA ILE A 136 -4.035 4.368 22.659 1.00 44.13 H new ATOM 0 HB ILE A 136 -5.463 6.477 22.386 1.00 3.50 H new ATOM 0 HG12 ILE A 136 -7.495 4.784 23.880 1.00 35.22 H new ATOM 0 HG13 ILE A 136 -6.676 6.179 24.555 1.00 35.22 H new ATOM 0 HG21 ILE A 136 -7.103 5.350 20.934 1.00 34.22 H new ATOM 0 HG22 ILE A 136 -5.475 4.655 20.751 1.00 34.22 H new ATOM 0 HG23 ILE A 136 -6.709 3.794 21.702 1.00 34.22 H new ATOM 0 HD11 ILE A 136 -8.917 6.771 23.772 1.00 63.32 H new ATOM 0 HD12 ILE A 136 -7.678 7.623 22.820 1.00 63.32 H new ATOM 0 HD13 ILE A 136 -8.510 6.206 22.135 1.00 63.32 H new ATOM 1964 N SER A 137 -4.624 5.714 25.602 1.00 72.20 N ATOM 1965 CA SER A 137 -4.057 6.553 26.651 1.00 32.54 C ATOM 1966 C SER A 137 -2.711 6.006 27.116 1.00 64.14 C ATOM 1967 O SER A 137 -1.757 6.759 27.312 1.00 42.21 O ATOM 1968 CB SER A 137 -5.020 6.643 27.837 1.00 2.01 C ATOM 1969 OG SER A 137 -5.194 5.377 28.450 1.00 12.31 O ATOM 0 H SER A 137 -5.473 5.217 25.872 1.00 72.20 H new ATOM 0 HA SER A 137 -3.902 7.551 26.240 1.00 32.54 H new ATOM 0 HB2 SER A 137 -4.636 7.355 28.568 1.00 2.01 H new ATOM 0 HB3 SER A 137 -5.984 7.022 27.499 1.00 2.01 H new ATOM 0 HG SER A 137 -5.680 5.486 29.294 1.00 12.31 H new ATOM 1975 N ARG A 138 -2.641 4.690 27.289 1.00 13.01 N ATOM 1976 CA ARG A 138 -1.413 4.041 27.731 1.00 1.44 C ATOM 1977 C ARG A 138 -0.348 4.092 26.640 1.00 60.13 C ATOM 1978 O ARG A 138 0.845 4.204 26.925 1.00 75.31 O ATOM 1979 CB ARG A 138 -1.690 2.588 28.121 1.00 11.34 C ATOM 1980 CG ARG A 138 -0.466 1.853 28.642 1.00 42.14 C ATOM 1981 CD ARG A 138 0.210 1.049 27.542 1.00 32.42 C ATOM 1982 NE ARG A 138 0.875 -0.142 28.065 1.00 51.10 N ATOM 1983 CZ ARG A 138 0.233 -1.258 28.393 1.00 44.04 C ATOM 1984 NH1 ARG A 138 -1.083 -1.336 28.252 1.00 43.23 N ATOM 1985 NH2 ARG A 138 0.909 -2.299 28.862 1.00 74.41 N ATOM 0 H ARG A 138 -3.421 4.052 27.130 1.00 13.01 H new ATOM 0 HA ARG A 138 -1.041 4.579 28.603 1.00 1.44 H new ATOM 0 HB2 ARG A 138 -2.468 2.568 28.884 1.00 11.34 H new ATOM 0 HB3 ARG A 138 -2.081 2.056 27.254 1.00 11.34 H new ATOM 0 HG2 ARG A 138 0.242 2.571 29.057 1.00 42.14 H new ATOM 0 HG3 ARG A 138 -0.758 1.187 29.454 1.00 42.14 H new ATOM 0 HD2 ARG A 138 -0.532 0.754 26.800 1.00 32.42 H new ATOM 0 HD3 ARG A 138 0.940 1.677 27.030 1.00 32.42 H new ATOM 0 HE ARG A 138 1.888 -0.115 28.185 1.00 51.10 H new ATOM 0 HH11 ARG A 138 -1.605 -0.538 27.891 1.00 43.23 H new ATOM 0 HH12 ARG A 138 -1.573 -2.194 28.505 1.00 43.23 H new ATOM 0 HH21 ARG A 138 1.922 -2.242 28.971 1.00 74.41 H new ATOM 0 HH22 ARG A 138 0.416 -3.156 29.114 1.00 74.41 H new ATOM 1999 N LYS A 139 -0.787 4.008 25.388 1.00 4.23 N ATOM 2000 CA LYS A 139 0.127 4.045 24.253 1.00 62.14 C ATOM 2001 C LYS A 139 0.782 5.417 24.126 1.00 64.53 C ATOM 2002 O LYS A 139 2.001 5.523 23.989 1.00 3.10 O ATOM 2003 CB LYS A 139 -0.618 3.703 22.961 1.00 72.53 C ATOM 2004 CG LYS A 139 -0.429 2.264 22.512 1.00 30.45 C ATOM 2005 CD LYS A 139 -1.486 1.851 21.502 1.00 61.13 C ATOM 2006 CE LYS A 139 -1.020 0.675 20.657 1.00 34.54 C ATOM 2007 NZ LYS A 139 -1.041 -0.602 21.425 1.00 52.53 N ATOM 0 H LYS A 139 -1.770 3.914 25.134 1.00 4.23 H new ATOM 0 HA LYS A 139 0.908 3.303 24.423 1.00 62.14 H new ATOM 0 HB2 LYS A 139 -1.682 3.893 23.104 1.00 72.53 H new ATOM 0 HB3 LYS A 139 -0.278 4.370 22.168 1.00 72.53 H new ATOM 0 HG2 LYS A 139 0.561 2.146 22.072 1.00 30.45 H new ATOM 0 HG3 LYS A 139 -0.474 1.603 23.378 1.00 30.45 H new ATOM 0 HD2 LYS A 139 -2.405 1.584 22.024 1.00 61.13 H new ATOM 0 HD3 LYS A 139 -1.721 2.695 20.854 1.00 61.13 H new ATOM 0 HE2 LYS A 139 -1.660 0.582 19.780 1.00 34.54 H new ATOM 0 HE3 LYS A 139 -0.009 0.865 20.296 1.00 34.54 H new ATOM 0 HZ1 LYS A 139 -0.717 -1.379 20.815 1.00 52.53 H new ATOM 0 HZ2 LYS A 139 -0.411 -0.522 22.248 1.00 52.53 H new ATOM 0 HZ3 LYS A 139 -2.010 -0.797 21.748 1.00 52.53 H new ATOM 2021 N VAL A 140 -0.034 6.464 24.173 1.00 13.32 N ATOM 2022 CA VAL A 140 0.467 7.829 24.066 1.00 15.42 C ATOM 2023 C VAL A 140 1.290 8.210 25.291 1.00 3.22 C ATOM 2024 O VAL A 140 2.295 8.913 25.184 1.00 42.44 O ATOM 2025 CB VAL A 140 -0.685 8.839 23.902 1.00 74.51 C ATOM 2026 CG1 VAL A 140 -1.599 8.809 25.118 1.00 71.23 C ATOM 2027 CG2 VAL A 140 -0.138 10.239 23.671 1.00 64.34 C ATOM 0 H VAL A 140 -1.045 6.394 24.285 1.00 13.32 H new ATOM 0 HA VAL A 140 1.101 7.864 23.180 1.00 15.42 H new ATOM 0 HB VAL A 140 -1.272 8.555 23.029 1.00 74.51 H new ATOM 0 HG11 VAL A 140 -2.407 9.529 24.984 1.00 71.23 H new ATOM 0 HG12 VAL A 140 -2.019 7.810 25.233 1.00 71.23 H new ATOM 0 HG13 VAL A 140 -1.027 9.067 26.009 1.00 71.23 H new ATOM 0 HG21 VAL A 140 -0.966 10.939 23.557 1.00 64.34 H new ATOM 0 HG22 VAL A 140 0.474 10.536 24.523 1.00 64.34 H new ATOM 0 HG23 VAL A 140 0.471 10.247 22.767 1.00 64.34 H new ATOM 2037 N LYS A 141 0.859 7.741 26.457 1.00 73.32 N ATOM 2038 CA LYS A 141 1.556 8.029 27.704 1.00 4.51 C ATOM 2039 C LYS A 141 2.981 7.486 27.669 1.00 20.32 C ATOM 2040 O LYS A 141 3.899 8.087 28.227 1.00 11.11 O ATOM 2041 CB LYS A 141 0.798 7.426 28.888 1.00 33.03 C ATOM 2042 CG LYS A 141 1.289 7.916 30.239 1.00 3.32 C ATOM 2043 CD LYS A 141 0.371 7.467 31.363 1.00 21.14 C ATOM 2044 CE LYS A 141 1.003 6.356 32.189 1.00 53.33 C ATOM 2045 NZ LYS A 141 1.685 6.886 33.402 1.00 50.12 N ATOM 0 H LYS A 141 0.028 7.159 26.564 1.00 73.32 H new ATOM 0 HA LYS A 141 1.601 9.111 27.823 1.00 4.51 H new ATOM 0 HB2 LYS A 141 -0.261 7.662 28.789 1.00 33.03 H new ATOM 0 HB3 LYS A 141 0.887 6.340 28.851 1.00 33.03 H new ATOM 0 HG2 LYS A 141 2.296 7.540 30.419 1.00 3.32 H new ATOM 0 HG3 LYS A 141 1.351 9.004 30.232 1.00 3.32 H new ATOM 0 HD2 LYS A 141 0.141 8.315 32.008 1.00 21.14 H new ATOM 0 HD3 LYS A 141 -0.574 7.119 30.946 1.00 21.14 H new ATOM 0 HE2 LYS A 141 0.234 5.643 32.487 1.00 53.33 H new ATOM 0 HE3 LYS A 141 1.722 5.812 31.576 1.00 53.33 H new ATOM 0 HZ1 LYS A 141 2.102 6.098 33.938 1.00 50.12 H new ATOM 0 HZ2 LYS A 141 2.435 7.547 33.117 1.00 50.12 H new ATOM 0 HZ3 LYS A 141 0.994 7.383 33.999 1.00 50.12 H new ATOM 2059 N SER A 142 3.159 6.346 27.009 1.00 35.43 N ATOM 2060 CA SER A 142 4.471 5.720 26.904 1.00 64.13 C ATOM 2061 C SER A 142 5.246 6.280 25.715 1.00 61.14 C ATOM 2062 O SER A 142 6.466 6.431 25.770 1.00 14.22 O ATOM 2063 CB SER A 142 4.327 4.203 26.764 1.00 2.23 C ATOM 2064 OG SER A 142 5.567 3.551 26.977 1.00 3.32 O ATOM 0 H SER A 142 2.410 5.837 26.539 1.00 35.43 H new ATOM 0 HA SER A 142 5.026 5.942 27.815 1.00 64.13 H new ATOM 0 HB2 SER A 142 3.592 3.837 27.481 1.00 2.23 H new ATOM 0 HB3 SER A 142 3.951 3.960 25.770 1.00 2.23 H new ATOM 0 HG SER A 142 5.448 2.583 26.884 1.00 3.32 H new ATOM 2070 N ASN A 143 4.527 6.586 24.639 1.00 23.33 N ATOM 2071 CA ASN A 143 5.146 7.129 23.435 1.00 21.44 C ATOM 2072 C ASN A 143 6.274 6.224 22.949 1.00 44.44 C ATOM 2073 O ASN A 143 7.433 6.636 22.894 1.00 65.12 O ATOM 2074 CB ASN A 143 5.684 8.535 23.704 1.00 44.44 C ATOM 2075 CG ASN A 143 6.297 9.166 22.467 1.00 35.44 C ATOM 2076 OD1 ASN A 143 7.403 9.703 22.514 1.00 22.02 O ATOM 2077 ND2 ASN A 143 5.577 9.102 21.353 1.00 12.52 N ATOM 0 H ASN A 143 3.516 6.467 24.577 1.00 23.33 H new ATOM 0 HA ASN A 143 4.385 7.182 22.656 1.00 21.44 H new ATOM 0 HB2 ASN A 143 4.874 9.167 24.068 1.00 44.44 H new ATOM 0 HB3 ASN A 143 6.433 8.489 24.495 1.00 44.44 H new ATOM 0 HD21 ASN A 143 5.937 9.508 20.489 1.00 12.52 H new ATOM 0 HD22 ASN A 143 4.664 8.647 21.361 1.00 12.52 H new ATOM 2084 N ARG A 144 5.927 4.991 22.596 1.00 53.22 N ATOM 2085 CA ARG A 144 6.910 4.028 22.114 1.00 11.41 C ATOM 2086 C ARG A 144 6.540 3.524 20.722 1.00 21.24 C ATOM 2087 O ARG A 144 5.362 3.438 20.375 1.00 0.42 O ATOM 2088 CB ARG A 144 7.018 2.850 23.083 1.00 24.14 C ATOM 2089 CG ARG A 144 5.718 2.083 23.257 1.00 32.35 C ATOM 2090 CD ARG A 144 5.972 0.602 23.494 1.00 53.13 C ATOM 2091 NE ARG A 144 6.918 0.376 24.583 1.00 34.01 N ATOM 2092 CZ ARG A 144 7.399 -0.820 24.902 1.00 33.43 C ATOM 2093 NH1 ARG A 144 7.025 -1.893 24.218 1.00 12.13 N ATOM 2094 NH2 ARG A 144 8.256 -0.946 25.907 1.00 2.51 N ATOM 0 H ARG A 144 4.972 4.635 22.635 1.00 53.22 H new ATOM 0 HA ARG A 144 7.876 4.530 22.055 1.00 11.41 H new ATOM 0 HB2 ARG A 144 7.788 2.166 22.726 1.00 24.14 H new ATOM 0 HB3 ARG A 144 7.345 3.219 24.055 1.00 24.14 H new ATOM 0 HG2 ARG A 144 5.160 2.497 24.097 1.00 32.35 H new ATOM 0 HG3 ARG A 144 5.098 2.209 22.369 1.00 32.35 H new ATOM 0 HD2 ARG A 144 5.030 0.105 23.724 1.00 53.13 H new ATOM 0 HD3 ARG A 144 6.357 0.149 22.580 1.00 53.13 H new ATOM 0 HE ARG A 144 7.226 1.181 25.129 1.00 34.01 H new ATOM 0 HH11 ARG A 144 6.366 -1.801 23.445 1.00 12.13 H new ATOM 0 HH12 ARG A 144 7.396 -2.810 24.465 1.00 12.13 H new ATOM 0 HH21 ARG A 144 8.546 -0.124 26.436 1.00 2.51 H new ATOM 0 HH22 ARG A 144 8.625 -1.865 26.151 1.00 2.51 H new