USER MOD reduce.3.24.130724 H: found=0, std=0, add=1208, rem=0, adj=73 USER MOD reduce.3.24.130724 removed 1185 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 155 CYS SG : rot -157:sc= -20.9! USER MOD Set 1.2: A 159 HIS : no HE2:sc= -0.829 K(o=-46,f=-48) USER MOD Set 1.3: A 161 CYS SG : rot 6:sc= -24.1! USER MOD Set 2.1: A 136 HIS : no HE2:sc= -1.6 K(o=-1.9,f=-3.5) USER MOD Set 2.2: A 148 CYS SG : rot 20:sc= -0.338 USER MOD Set 3.1: A 129 LYS NZ :NH3+ -135:sc= -0.35 (180deg=-0.55) USER MOD Set 3.2: A 179 HIS : no HE2:sc= -1.9 K(o=-2.2,f=-4.9) USER MOD Set 4.1: A 127 CYS SG : rot -97:sc= 0.196 USER MOD Set 4.2: A 151 LYS NZ :NH3+ 176:sc= -1.05 (180deg=-1.1) USER MOD Set 5.1: A 74 CYS SG : rot -130:sc= -0.64 USER MOD Set 5.2: A 125 CYS SG : rot 9:sc= 0.284 USER MOD Set 6.1: A 100 HIS : no HD1:sc= -4.95 K(o=-5.1,f=-11!) USER MOD Set 6.2: A 123 CYS SG : rot -84:sc= -0.123 USER MOD Set 7.1: A 75 HIS :FLIP no HD1:sc= -1.72 F(o=-3.6,f=-2.8) USER MOD Set 7.2: A 112 CYS SG : rot 155:sc= -1.13 USER MOD Set 8.1: A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 8.2: A 162 TYR OH : rot 180:sc= 0 USER MOD Set 9.1: A 92 HIS : no HD1:sc= -2.3! X(o=-1.3!,f=-0.85) USER MOD Set 9.2: A 99 THR OG1 : rot 72:sc= 1.01 USER MOD Set10.1: A 50 CYS SG : rot 155:sc= 0.119 USER MOD Set10.2: A 65 CYS SG : rot 69:sc= -3.14 USER MOD Set10.3: A 69 HIS : no HE2:sc= -1.61 K(o=-11,f=-22!) USER MOD Set10.4: A 71 CYS SG : rot 37:sc= -0.182 USER MOD Set10.5: A 73 HIS : no HD1:sc= -6.67! C(o=-11!,f=-27!) USER MOD Set11.1: A 27 CYS SG : rot 55:sc= -0.305 USER MOD Set11.2: A 28 ASN : amide:sc= -0.294 K(o=-0.6,f=-1.3) USER MOD Set12.1: A 25 CYS SG : rot -160:sc= 0.164 USER MOD Set12.2: A 26 SER OG : rot -72:sc= 1.35 USER MOD Set13.1: A 11 SER OG : rot 96:sc= -0.555 USER MOD Set13.2: A 17 HIS : no HE2:sc= -3.19! C(o=-9.3!,f=-20!) USER MOD Set13.3: A 18 CYS SG : rot 180:sc= -1.04 USER MOD Set13.4: A 21 ASN :FLIP amide:sc= -1.82 F(o=-25!,f=-9.3) USER MOD Set13.5: A 29 CYS SG : rot 154:sc= -2.72! USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.0445) USER MOD Single : A 1 MET N :NH3+ -144:sc= -3.76! (180deg=-6.86!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 CYS SG : rot 20:sc= 0.0981 USER MOD Single : A 10 ASN :FLIP amide:sc= -0.639 F(o=-2.5,f=-0.64) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -11.5! C(o=-12!,f=-14!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -130:sc= -1.56 (180deg=-4.9!) USER MOD Single : A 42 SER OG : rot 4:sc= 1.2 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -1.45 K(o=-1.4,f=-2.6) USER MOD Single : A 53 ASN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.834 F(o=-1.4,f=-0.83) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 178:sc= 0.0526 (180deg=0.0518) USER MOD Single : A 58 CYS SG : rot 7:sc= 0.427 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 21:sc= 0.232 USER MOD Single : A 61 THR OG1 : rot -65:sc= -1.19! USER MOD Single : A 66 ASN :FLIP amide:sc= 0.724 F(o=-1.7!,f=0.72) USER MOD Single : A 72 HIS : no HD1:sc= -0.0379 X(o=-0.038,f=-0.28) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 83 HIS : no HD1:sc= -0.0967 X(o=-0.097,f=-0.35) USER MOD Single : A 84 CYS SG : rot -160:sc= 0.0229 USER MOD Single : A 85 HIS : no HE2:sc= -2.7 K(o=-2.7,f=-4.9!) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 68:sc= 0.00918 USER MOD Single : A 88 CYS SG : rot 81:sc= -0.486 USER MOD Single : A 90 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-3.7!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.033 X(o=-0.033,f=0) USER MOD Single : A 95 HIS : no HE2:sc= -0.024 K(o=-0.024,f=-1.9) USER MOD Single : A 104 THR OG1 : rot -47:sc= 0.521 USER MOD Single : A 105 LYS NZ :NH3+ 159:sc= 0.246 (180deg=-0.304!) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -0.523 X(o=-0.52,f=-0.17) USER MOD Single : A 119 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.322) USER MOD Single : A 120 HIS : no HE2:sc= -0.181 X(o=-0.18,f=-0.38) USER MOD Single : A 128 SER OG : rot -122:sc= 1.08 USER MOD Single : A 133 ASN : amide:sc= -5.88! C(o=-5.9!,f=-6.2!) USER MOD Single : A 138 CYS SG : rot -110:sc= -5.62! USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 1:sc= 0.709 USER MOD Single : A 152 THR OG1 : rot 99:sc= -0.724! USER MOD Single : A 154 THR OG1 : rot 3:sc= 0.891 USER MOD Single : A 156 ASN : amide:sc= -0.0531 X(o=-0.053,f=-0.4) USER MOD Single : A 163 HIS : no HD1:sc= -2.79 K(o=-2.8,f=-5.6!) USER MOD Single : A 164 SER OG : rot 180:sc= -0.0664 USER MOD Single : A 165 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot -71:sc= 1.15 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 SER OG : rot 46:sc= 0.43 USER MOD Single : A 175 CYS SG : rot 180:sc= 0 USER MOD Single : A 177 CYS SG : rot 180:sc= 0 USER MOD Single : A 180 SER OG : rot 180:sc= 0 USER MOD Single : A 184 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.056 1.768 2.115 1.00 53.00 N ATOM 2 CA MET A 1 4.051 3.222 2.008 1.00 11.42 C ATOM 3 C MET A 1 2.670 3.734 1.611 1.00 32.21 C ATOM 4 O MET A 1 2.244 4.803 2.048 1.00 22.41 O ATOM 5 CB MET A 1 5.092 3.684 0.986 1.00 33.50 C ATOM 6 CG MET A 1 4.986 5.158 0.634 1.00 53.41 C ATOM 7 SD MET A 1 4.034 5.447 -0.870 1.00 70.22 S ATOM 8 CE MET A 1 5.220 4.958 -2.120 1.00 72.42 C ATOM 0 H1 MET A 1 4.680 1.479 2.896 1.00 53.00 H new ATOM 0 H2 MET A 1 3.090 1.430 2.301 1.00 53.00 H new ATOM 0 H3 MET A 1 4.402 1.356 1.225 1.00 53.00 H new ATOM 0 HA MET A 1 4.304 3.633 2.985 1.00 11.42 H new ATOM 0 HB2 MET A 1 6.089 3.484 1.379 1.00 33.50 H new ATOM 0 HB3 MET A 1 4.983 3.093 0.077 1.00 33.50 H new ATOM 0 HG2 MET A 1 4.521 5.693 1.462 1.00 53.41 H new ATOM 0 HG3 MET A 1 5.987 5.571 0.510 1.00 53.41 H new ATOM 0 HE1 MET A 1 4.850 5.244 -3.104 1.00 72.42 H new ATOM 0 HE2 MET A 1 6.172 5.454 -1.932 1.00 72.42 H new ATOM 0 HE3 MET A 1 5.361 3.878 -2.085 1.00 72.42 H new ATOM 18 N ALA A 2 1.975 2.964 0.780 1.00 31.21 N ATOM 19 CA ALA A 2 0.642 3.339 0.326 1.00 74.40 C ATOM 20 C ALA A 2 -0.018 2.198 -0.442 1.00 45.13 C ATOM 21 O ALA A 2 0.583 1.616 -1.346 1.00 42.43 O ATOM 22 CB ALA A 2 0.710 4.589 -0.538 1.00 45.11 C ATOM 0 H ALA A 2 2.313 2.077 0.408 1.00 31.21 H new ATOM 0 HA ALA A 2 0.033 3.551 1.205 1.00 74.40 H new ATOM 0 HB1 ALA A 2 -0.293 4.857 -0.870 1.00 45.11 H new ATOM 0 HB2 ALA A 2 1.132 5.410 0.042 1.00 45.11 H new ATOM 0 HB3 ALA A 2 1.340 4.397 -1.406 1.00 45.11 H new ATOM 28 N HIS A 3 -1.256 1.882 -0.077 1.00 0.43 N ATOM 29 CA HIS A 3 -1.997 0.810 -0.732 1.00 43.42 C ATOM 30 C HIS A 3 -2.688 1.320 -1.993 1.00 61.03 C ATOM 31 O HIS A 3 -3.466 2.272 -1.944 1.00 32.34 O ATOM 32 CB HIS A 3 -3.030 0.217 0.225 1.00 33.44 C ATOM 33 CG HIS A 3 -3.916 -0.810 -0.411 1.00 53.30 C ATOM 34 ND1 HIS A 3 -3.472 -2.060 -0.785 1.00 25.21 N ATOM 35 CD2 HIS A 3 -5.229 -0.766 -0.738 1.00 11.33 C ATOM 36 CE1 HIS A 3 -4.472 -2.740 -1.316 1.00 20.44 C ATOM 37 NE2 HIS A 3 -5.550 -1.977 -1.298 1.00 71.53 N ATOM 0 H HIS A 3 -1.768 2.353 0.669 1.00 0.43 H new ATOM 0 HA HIS A 3 -1.288 0.032 -1.016 1.00 43.42 H new ATOM 0 HB2 HIS A 3 -2.512 -0.236 1.071 1.00 33.44 H new ATOM 0 HB3 HIS A 3 -3.648 1.022 0.623 1.00 33.44 H new ATOM 0 HD2 HIS A 3 -5.899 0.067 -0.586 1.00 11.33 H new ATOM 0 HE1 HIS A 3 -4.418 -3.748 -1.700 1.00 20.44 H new ATOM 0 HE2 HIS A 3 -6.471 -2.244 -1.644 1.00 71.53 H new ATOM 45 N GLU A 4 -2.397 0.680 -3.122 1.00 10.04 N ATOM 46 CA GLU A 4 -2.990 1.071 -4.395 1.00 61.43 C ATOM 47 C GLU A 4 -2.991 -0.098 -5.376 1.00 70.42 C ATOM 48 O GLU A 4 -2.114 -0.960 -5.331 1.00 3.10 O ATOM 49 CB GLU A 4 -2.228 2.254 -4.996 1.00 55.10 C ATOM 50 CG GLU A 4 -3.126 3.271 -5.681 1.00 71.20 C ATOM 51 CD GLU A 4 -2.988 3.247 -7.191 1.00 2.41 C ATOM 52 OE1 GLU A 4 -4.026 3.161 -7.880 1.00 30.12 O ATOM 53 OE2 GLU A 4 -1.842 3.315 -7.684 1.00 15.45 O ATOM 0 H GLU A 4 -1.755 -0.110 -3.180 1.00 10.04 H new ATOM 0 HA GLU A 4 -4.022 1.369 -4.210 1.00 61.43 H new ATOM 0 HB2 GLU A 4 -1.665 2.752 -4.206 1.00 55.10 H new ATOM 0 HB3 GLU A 4 -1.502 1.879 -5.717 1.00 55.10 H new ATOM 0 HG2 GLU A 4 -4.164 3.074 -5.411 1.00 71.20 H new ATOM 0 HG3 GLU A 4 -2.885 4.269 -5.314 1.00 71.20 H new ATOM 60 N GLU A 5 -3.983 -0.120 -6.261 1.00 0.10 N ATOM 61 CA GLU A 5 -4.099 -1.184 -7.252 1.00 0.44 C ATOM 62 C GLU A 5 -3.031 -1.040 -8.332 1.00 25.13 C ATOM 63 O GLU A 5 -2.926 0.000 -8.982 1.00 3.12 O ATOM 64 CB GLU A 5 -5.490 -1.167 -7.889 1.00 62.44 C ATOM 65 CG GLU A 5 -6.394 -2.290 -7.407 1.00 4.50 C ATOM 66 CD GLU A 5 -7.044 -1.982 -6.072 1.00 4.00 C ATOM 67 OE1 GLU A 5 -6.416 -1.274 -5.256 1.00 60.43 O ATOM 68 OE2 GLU A 5 -8.179 -2.449 -5.843 1.00 1.44 O ATOM 0 H GLU A 5 -4.717 0.586 -6.312 1.00 0.10 H new ATOM 0 HA GLU A 5 -3.951 -2.137 -6.744 1.00 0.44 H new ATOM 0 HB2 GLU A 5 -5.967 -0.211 -7.675 1.00 62.44 H new ATOM 0 HB3 GLU A 5 -5.385 -1.235 -8.972 1.00 62.44 H new ATOM 0 HG2 GLU A 5 -7.169 -2.472 -8.151 1.00 4.50 H new ATOM 0 HG3 GLU A 5 -5.813 -3.208 -7.321 1.00 4.50 H new ATOM 75 N ASP A 6 -2.240 -2.091 -8.516 1.00 63.33 N ATOM 76 CA ASP A 6 -1.179 -2.084 -9.517 1.00 52.23 C ATOM 77 C ASP A 6 -0.590 -3.480 -9.695 1.00 5.43 C ATOM 78 O ASP A 6 -1.094 -4.453 -9.136 1.00 64.03 O ATOM 79 CB ASP A 6 -0.079 -1.099 -9.118 1.00 51.15 C ATOM 80 CG ASP A 6 0.183 -0.059 -10.190 1.00 2.10 C ATOM 81 OD1 ASP A 6 -0.797 0.482 -10.745 1.00 65.52 O ATOM 82 OD2 ASP A 6 1.368 0.215 -10.473 1.00 0.12 O ATOM 0 H ASP A 6 -2.313 -2.959 -7.985 1.00 63.33 H new ATOM 0 HA ASP A 6 -1.611 -1.769 -10.467 1.00 52.23 H new ATOM 0 HB2 ASP A 6 -0.362 -0.599 -8.192 1.00 51.15 H new ATOM 0 HB3 ASP A 6 0.841 -1.648 -8.916 1.00 51.15 H new ATOM 87 N GLY A 7 0.482 -3.569 -10.477 1.00 74.15 N ATOM 88 CA GLY A 7 1.121 -4.850 -10.716 1.00 4.34 C ATOM 89 C GLY A 7 2.521 -4.915 -10.137 1.00 33.33 C ATOM 90 O GLY A 7 3.155 -5.970 -10.146 1.00 24.24 O ATOM 0 H GLY A 7 0.919 -2.777 -10.949 1.00 74.15 H new ATOM 0 HA2 GLY A 7 0.513 -5.643 -10.280 1.00 4.34 H new ATOM 0 HA3 GLY A 7 1.166 -5.036 -11.789 1.00 4.34 H new ATOM 94 N VAL A 8 3.005 -3.784 -9.633 1.00 33.52 N ATOM 95 CA VAL A 8 4.338 -3.717 -9.048 1.00 24.35 C ATOM 96 C VAL A 8 4.267 -3.576 -7.531 1.00 73.22 C ATOM 97 O VAL A 8 4.069 -2.479 -7.008 1.00 42.34 O ATOM 98 CB VAL A 8 5.146 -2.539 -9.624 1.00 73.22 C ATOM 99 CG1 VAL A 8 5.631 -2.861 -11.029 1.00 61.23 C ATOM 100 CG2 VAL A 8 4.310 -1.268 -9.618 1.00 44.21 C ATOM 0 H VAL A 8 2.493 -2.902 -9.618 1.00 33.52 H new ATOM 0 HA VAL A 8 4.841 -4.651 -9.300 1.00 24.35 H new ATOM 0 HB VAL A 8 6.019 -2.376 -8.993 1.00 73.22 H new ATOM 0 HG11 VAL A 8 6.200 -2.017 -11.420 1.00 61.23 H new ATOM 0 HG12 VAL A 8 6.267 -3.746 -11.000 1.00 61.23 H new ATOM 0 HG13 VAL A 8 4.774 -3.051 -11.675 1.00 61.23 H new ATOM 0 HG21 VAL A 8 4.896 -0.445 -10.028 1.00 44.21 H new ATOM 0 HG22 VAL A 8 3.418 -1.417 -10.226 1.00 44.21 H new ATOM 0 HG23 VAL A 8 4.017 -1.030 -8.595 1.00 44.21 H new ATOM 110 N CYS A 9 4.429 -4.693 -6.831 1.00 12.15 N ATOM 111 CA CYS A 9 4.382 -4.694 -5.373 1.00 22.44 C ATOM 112 C CYS A 9 5.108 -5.910 -4.807 1.00 24.33 C ATOM 113 O CYS A 9 5.121 -6.978 -5.417 1.00 74.15 O ATOM 114 CB CYS A 9 2.932 -4.680 -4.888 1.00 32.11 C ATOM 115 SG CYS A 9 2.049 -6.235 -5.156 1.00 13.00 S ATOM 0 H CYS A 9 4.594 -5.609 -7.249 1.00 12.15 H new ATOM 0 HA CYS A 9 4.885 -3.795 -5.018 1.00 22.44 H new ATOM 0 HB2 CYS A 9 2.918 -4.446 -3.824 1.00 32.11 H new ATOM 0 HB3 CYS A 9 2.397 -3.878 -5.398 1.00 32.11 H new ATOM 0 HG CYS A 9 2.906 -7.199 -5.313 1.00 13.00 H new ATOM 121 N ASN A 10 5.714 -5.739 -3.636 1.00 62.41 N ATOM 122 CA ASN A 10 6.445 -6.823 -2.988 1.00 42.44 C ATOM 123 C ASN A 10 5.778 -7.220 -1.675 1.00 3.42 C ATOM 124 O ASN A 10 5.853 -8.373 -1.253 1.00 23.44 O ATOM 125 CB ASN A 10 7.895 -6.406 -2.732 1.00 13.42 C ATOM 126 CG ASN A 10 8.429 -6.948 -1.420 1.00 60.55 C ATOM 127 OD1 ASN A 10 8.116 -6.265 -0.326 1.00 53.43 O flip ATOM 128 ND2 ASN A 10 9.115 -7.971 -1.392 1.00 1.21 N flip ATOM 0 H ASN A 10 5.713 -4.861 -3.117 1.00 62.41 H new ATOM 0 HA ASN A 10 6.434 -7.685 -3.655 1.00 42.44 H new ATOM 0 HB2 ASN A 10 8.522 -6.760 -3.550 1.00 13.42 H new ATOM 0 HB3 ASN A 10 7.962 -5.318 -2.727 1.00 13.42 H new ATOM 0 HD21 ASN A 10 9.331 -8.464 -2.258 1.00 1.21 H new ATOM 0 HD22 ASN A 10 9.467 -8.325 -0.502 1.00 1.21 H new ATOM 135 N SER A 11 5.126 -6.255 -1.034 1.00 33.33 N ATOM 136 CA SER A 11 4.448 -6.503 0.233 1.00 10.25 C ATOM 137 C SER A 11 2.947 -6.674 0.022 1.00 33.13 C ATOM 138 O SER A 11 2.447 -7.794 -0.078 1.00 51.32 O ATOM 139 CB SER A 11 4.709 -5.354 1.209 1.00 44.41 C ATOM 140 OG SER A 11 5.016 -4.156 0.516 1.00 61.22 O ATOM 0 H SER A 11 5.053 -5.295 -1.371 1.00 33.33 H new ATOM 0 HA SER A 11 4.846 -7.426 0.654 1.00 10.25 H new ATOM 0 HB2 SER A 11 3.832 -5.200 1.837 1.00 44.41 H new ATOM 0 HB3 SER A 11 5.534 -5.616 1.872 1.00 44.41 H new ATOM 0 HG SER A 11 4.204 -3.616 0.421 1.00 61.22 H new ATOM 146 N ASN A 12 2.233 -5.555 -0.044 1.00 4.31 N ATOM 147 CA ASN A 12 0.789 -5.580 -0.243 1.00 13.44 C ATOM 148 C ASN A 12 0.382 -4.660 -1.390 1.00 75.52 C ATOM 149 O ASN A 12 -0.733 -4.749 -1.904 1.00 12.31 O ATOM 150 CB ASN A 12 0.069 -5.161 1.041 1.00 2.31 C ATOM 151 CG ASN A 12 -1.373 -5.627 1.074 1.00 74.22 C ATOM 152 OD1 ASN A 12 -2.298 -4.833 0.902 1.00 73.13 O ATOM 153 ND2 ASN A 12 -1.572 -6.921 1.296 1.00 64.41 N ATOM 0 H ASN A 12 2.631 -4.619 0.037 1.00 4.31 H new ATOM 0 HA ASN A 12 0.500 -6.600 -0.498 1.00 13.44 H new ATOM 0 HB2 ASN A 12 0.599 -5.569 1.901 1.00 2.31 H new ATOM 0 HB3 ASN A 12 0.099 -4.075 1.133 1.00 2.31 H new ATOM 0 HD21 ASN A 12 -2.521 -7.293 1.329 1.00 64.41 H new ATOM 0 HD22 ASN A 12 -0.776 -7.543 1.433 1.00 64.41 H new ATOM 160 N ALA A 13 1.293 -3.779 -1.787 1.00 65.13 N ATOM 161 CA ALA A 13 1.031 -2.846 -2.875 1.00 53.45 C ATOM 162 C ALA A 13 2.244 -1.963 -3.147 1.00 3.03 C ATOM 163 O ALA A 13 2.801 -1.952 -4.245 1.00 10.22 O ATOM 164 CB ALA A 13 -0.186 -1.990 -2.555 1.00 4.34 C ATOM 0 H ALA A 13 2.220 -3.692 -1.371 1.00 65.13 H new ATOM 0 HA ALA A 13 0.828 -3.426 -3.775 1.00 53.45 H new ATOM 0 HB1 ALA A 13 -0.370 -1.298 -3.376 1.00 4.34 H new ATOM 0 HB2 ALA A 13 -1.057 -2.632 -2.419 1.00 4.34 H new ATOM 0 HB3 ALA A 13 -0.004 -1.427 -1.640 1.00 4.34 H new ATOM 170 N PRO A 14 2.665 -1.204 -2.124 1.00 65.11 N ATOM 171 CA PRO A 14 3.818 -0.304 -2.228 1.00 54.24 C ATOM 172 C PRO A 14 5.137 -1.061 -2.338 1.00 12.20 C ATOM 173 O PRO A 14 5.151 -2.283 -2.492 1.00 42.41 O ATOM 174 CB PRO A 14 3.765 0.493 -0.922 1.00 70.43 C ATOM 175 CG PRO A 14 3.045 -0.395 0.034 1.00 45.12 C ATOM 176 CD PRO A 14 2.050 -1.167 -0.787 1.00 53.10 C ATOM 0 HA PRO A 14 3.772 0.316 -3.123 1.00 54.24 H new ATOM 0 HB2 PRO A 14 4.766 0.732 -0.563 1.00 70.43 H new ATOM 0 HB3 PRO A 14 3.240 1.439 -1.056 1.00 70.43 H new ATOM 0 HG2 PRO A 14 3.738 -1.067 0.540 1.00 45.12 H new ATOM 0 HG3 PRO A 14 2.544 0.188 0.807 1.00 45.12 H new ATOM 0 HD2 PRO A 14 1.893 -2.170 -0.389 1.00 53.10 H new ATOM 0 HD3 PRO A 14 1.077 -0.676 -0.806 1.00 53.10 H new ATOM 184 N CYS A 15 6.242 -0.328 -2.257 1.00 61.50 N ATOM 185 CA CYS A 15 7.567 -0.932 -2.347 1.00 41.45 C ATOM 186 C CYS A 15 7.670 -2.155 -1.443 1.00 24.21 C ATOM 187 O CYS A 15 7.558 -3.292 -1.903 1.00 43.45 O ATOM 188 CB CYS A 15 8.642 0.089 -1.970 1.00 14.12 C ATOM 189 SG CYS A 15 9.393 0.928 -3.385 1.00 33.15 S ATOM 0 H CYS A 15 6.247 0.684 -2.129 1.00 61.50 H new ATOM 0 HA CYS A 15 7.725 -1.251 -3.377 1.00 41.45 H new ATOM 0 HB2 CYS A 15 8.202 0.836 -1.310 1.00 14.12 H new ATOM 0 HB3 CYS A 15 9.424 -0.416 -1.403 1.00 14.12 H new ATOM 0 HG CYS A 15 10.287 1.773 -2.964 1.00 33.15 H new ATOM 195 N TYR A 16 7.886 -1.915 -0.154 1.00 64.25 N ATOM 196 CA TYR A 16 8.009 -2.998 0.815 1.00 42.25 C ATOM 197 C TYR A 16 7.748 -2.494 2.231 1.00 40.44 C ATOM 198 O TYR A 16 8.571 -1.786 2.812 1.00 51.51 O ATOM 199 CB TYR A 16 9.401 -3.627 0.734 1.00 60.01 C ATOM 200 CG TYR A 16 10.510 -2.619 0.533 1.00 24.54 C ATOM 201 CD1 TYR A 16 11.122 -2.005 1.619 1.00 22.44 C ATOM 202 CD2 TYR A 16 10.946 -2.281 -0.742 1.00 2.34 C ATOM 203 CE1 TYR A 16 12.136 -1.084 1.441 1.00 12.33 C ATOM 204 CE2 TYR A 16 11.960 -1.361 -0.929 1.00 60.32 C ATOM 205 CZ TYR A 16 12.551 -0.765 0.165 1.00 24.42 C ATOM 206 OH TYR A 16 13.561 0.152 -0.018 1.00 14.04 O ATOM 0 H TYR A 16 7.979 -0.980 0.244 1.00 64.25 H new ATOM 0 HA TYR A 16 7.261 -3.754 0.574 1.00 42.25 H new ATOM 0 HB2 TYR A 16 9.592 -4.187 1.650 1.00 60.01 H new ATOM 0 HB3 TYR A 16 9.420 -4.344 -0.087 1.00 60.01 H new ATOM 0 HD1 TYR A 16 10.799 -2.252 2.620 1.00 22.44 H new ATOM 0 HD2 TYR A 16 10.485 -2.745 -1.601 1.00 2.34 H new ATOM 0 HE1 TYR A 16 12.601 -0.616 2.296 1.00 12.33 H new ATOM 0 HE2 TYR A 16 12.288 -1.110 -1.927 1.00 60.32 H new ATOM 0 HH TYR A 16 13.733 0.262 -0.976 1.00 14.04 H new ATOM 216 N HIS A 17 6.596 -2.865 2.781 1.00 41.53 N ATOM 217 CA HIS A 17 6.225 -2.452 4.130 1.00 42.24 C ATOM 218 C HIS A 17 6.183 -3.651 5.072 1.00 11.33 C ATOM 219 O HIS A 17 6.416 -4.787 4.658 1.00 40.12 O ATOM 220 CB HIS A 17 4.866 -1.751 4.116 1.00 63.03 C ATOM 221 CG HIS A 17 3.718 -2.676 3.852 1.00 42.23 C ATOM 222 ND1 HIS A 17 3.146 -3.463 4.829 1.00 54.24 N ATOM 223 CD2 HIS A 17 3.034 -2.936 2.713 1.00 44.52 C ATOM 224 CE1 HIS A 17 2.161 -4.168 4.302 1.00 54.14 C ATOM 225 NE2 HIS A 17 2.072 -3.866 3.019 1.00 70.02 N ATOM 0 H HIS A 17 5.904 -3.450 2.314 1.00 41.53 H new ATOM 0 HA HIS A 17 6.981 -1.755 4.491 1.00 42.24 H new ATOM 0 HB2 HIS A 17 4.711 -1.257 5.075 1.00 63.03 H new ATOM 0 HB3 HIS A 17 4.876 -0.971 3.354 1.00 63.03 H new ATOM 0 HD1 HIS A 17 3.438 -3.496 5.806 1.00 54.24 H new ATOM 0 HD2 HIS A 17 3.212 -2.494 1.744 1.00 44.52 H new ATOM 0 HE1 HIS A 17 1.535 -4.872 4.830 1.00 54.14 H new ATOM 233 N CYS A 18 5.885 -3.390 6.340 1.00 2.22 N ATOM 234 CA CYS A 18 5.814 -4.448 7.342 1.00 1.52 C ATOM 235 C CYS A 18 4.379 -4.930 7.522 1.00 74.50 C ATOM 236 O CYS A 18 3.433 -4.149 7.423 1.00 51.55 O ATOM 237 CB CYS A 18 6.369 -3.951 8.678 1.00 22.30 C ATOM 238 SG CYS A 18 5.811 -4.904 10.109 1.00 34.53 S ATOM 0 H CYS A 18 5.689 -2.456 6.699 1.00 2.22 H new ATOM 0 HA CYS A 18 6.419 -5.286 6.994 1.00 1.52 H new ATOM 0 HB2 CYS A 18 7.458 -3.978 8.639 1.00 22.30 H new ATOM 0 HB3 CYS A 18 6.080 -2.909 8.814 1.00 22.30 H new ATOM 0 HG CYS A 18 6.335 -4.409 11.191 1.00 34.53 H new ATOM 244 N ASP A 19 4.224 -6.223 7.785 1.00 34.24 N ATOM 245 CA ASP A 19 2.903 -6.811 7.978 1.00 22.35 C ATOM 246 C ASP A 19 2.332 -6.429 9.341 1.00 61.55 C ATOM 247 O ASP A 19 1.256 -5.839 9.430 1.00 42.00 O ATOM 248 CB ASP A 19 2.976 -8.334 7.851 1.00 52.34 C ATOM 249 CG ASP A 19 3.208 -8.784 6.422 1.00 60.32 C ATOM 250 OD1 ASP A 19 2.510 -9.717 5.973 1.00 74.35 O ATOM 251 OD2 ASP A 19 4.088 -8.203 5.753 1.00 74.44 O ATOM 0 H ASP A 19 4.996 -6.884 7.869 1.00 34.24 H new ATOM 0 HA ASP A 19 2.242 -6.421 7.204 1.00 22.35 H new ATOM 0 HB2 ASP A 19 3.781 -8.710 8.483 1.00 52.34 H new ATOM 0 HB3 ASP A 19 2.049 -8.772 8.221 1.00 52.34 H new ATOM 256 N ALA A 20 3.060 -6.772 10.399 1.00 52.14 N ATOM 257 CA ALA A 20 2.626 -6.464 11.756 1.00 62.22 C ATOM 258 C ALA A 20 1.823 -5.169 11.795 1.00 11.31 C ATOM 259 O ALA A 20 0.841 -5.059 12.527 1.00 15.44 O ATOM 260 CB ALA A 20 3.827 -6.371 12.685 1.00 23.22 C ATOM 0 H ALA A 20 3.952 -7.263 10.342 1.00 52.14 H new ATOM 0 HA ALA A 20 1.979 -7.272 12.096 1.00 62.22 H new ATOM 0 HB1 ALA A 20 3.489 -6.140 13.695 1.00 23.22 H new ATOM 0 HB2 ALA A 20 4.359 -7.323 12.689 1.00 23.22 H new ATOM 0 HB3 ALA A 20 4.495 -5.583 12.338 1.00 23.22 H new ATOM 266 N ASN A 21 2.248 -4.190 11.003 1.00 41.12 N ATOM 267 CA ASN A 21 1.568 -2.901 10.948 1.00 4.35 C ATOM 268 C ASN A 21 0.941 -2.674 9.576 1.00 3.23 C ATOM 269 O ASN A 21 0.130 -1.767 9.395 1.00 32.12 O ATOM 270 CB ASN A 21 2.549 -1.770 11.267 1.00 53.01 C ATOM 271 CG ASN A 21 3.615 -1.611 10.200 1.00 74.21 C ATOM 272 OD1 ASN A 21 3.761 -2.625 9.354 1.00 70.23 O flip ATOM 273 ND2 ASN A 21 4.298 -0.589 10.137 1.00 13.25 N flip ATOM 0 H ASN A 21 3.060 -4.265 10.390 1.00 41.12 H new ATOM 0 HA ASN A 21 0.773 -2.905 11.694 1.00 4.35 H new ATOM 0 HB2 ASN A 21 1.999 -0.834 11.370 1.00 53.01 H new ATOM 0 HB3 ASN A 21 3.026 -1.967 12.227 1.00 53.01 H new ATOM 0 HD21 ASN A 21 4.151 0.165 10.808 1.00 13.25 H new ATOM 0 HD22 ASN A 21 5.011 -0.496 9.414 1.00 13.25 H new ATOM 280 N GLY A 22 1.324 -3.505 8.612 1.00 73.52 N ATOM 281 CA GLY A 22 0.789 -3.380 7.269 1.00 42.45 C ATOM 282 C GLY A 22 -0.687 -3.719 7.198 1.00 45.33 C ATOM 283 O GLY A 22 -1.326 -3.520 6.165 1.00 31.24 O ATOM 0 H GLY A 22 1.995 -4.263 8.737 1.00 73.52 H new ATOM 0 HA2 GLY A 22 0.942 -2.361 6.914 1.00 42.45 H new ATOM 0 HA3 GLY A 22 1.342 -4.038 6.598 1.00 42.45 H new ATOM 287 N GLU A 23 -1.228 -4.233 8.298 1.00 65.24 N ATOM 288 CA GLU A 23 -2.637 -4.603 8.354 1.00 41.11 C ATOM 289 C GLU A 23 -3.193 -4.415 9.763 1.00 41.25 C ATOM 290 O GLU A 23 -4.382 -4.155 9.942 1.00 3.52 O ATOM 291 CB GLU A 23 -2.824 -6.055 7.910 1.00 73.05 C ATOM 292 CG GLU A 23 -4.209 -6.348 7.356 1.00 23.42 C ATOM 293 CD GLU A 23 -4.192 -7.416 6.280 1.00 75.23 C ATOM 294 OE1 GLU A 23 -4.578 -7.107 5.133 1.00 74.33 O ATOM 295 OE2 GLU A 23 -3.794 -8.560 6.584 1.00 75.02 O ATOM 0 H GLU A 23 -0.712 -4.402 9.162 1.00 65.24 H new ATOM 0 HA GLU A 23 -3.185 -3.950 7.675 1.00 41.11 H new ATOM 0 HB2 GLU A 23 -2.080 -6.292 7.150 1.00 73.05 H new ATOM 0 HB3 GLU A 23 -2.634 -6.713 8.758 1.00 73.05 H new ATOM 0 HG2 GLU A 23 -4.862 -6.667 8.169 1.00 23.42 H new ATOM 0 HG3 GLU A 23 -4.634 -5.432 6.947 1.00 23.42 H new ATOM 302 N ASN A 24 -2.323 -4.549 10.758 1.00 31.35 N ATOM 303 CA ASN A 24 -2.727 -4.396 12.151 1.00 4.55 C ATOM 304 C ASN A 24 -2.661 -2.932 12.578 1.00 22.35 C ATOM 305 O ASN A 24 -3.130 -2.568 13.658 1.00 64.43 O ATOM 306 CB ASN A 24 -1.834 -5.244 13.059 1.00 2.13 C ATOM 307 CG ASN A 24 -1.346 -6.506 12.374 1.00 2.15 C ATOM 308 OD1 ASN A 24 -0.679 -6.447 11.341 1.00 1.44 O ATOM 309 ND2 ASN A 24 -1.677 -7.657 12.949 1.00 55.54 N ATOM 0 H ASN A 24 -1.334 -4.763 10.626 1.00 31.35 H new ATOM 0 HA ASN A 24 -3.758 -4.738 12.244 1.00 4.55 H new ATOM 0 HB2 ASN A 24 -0.976 -4.651 13.377 1.00 2.13 H new ATOM 0 HB3 ASN A 24 -2.387 -5.513 13.959 1.00 2.13 H new ATOM 0 HD21 ASN A 24 -1.377 -8.539 12.534 1.00 55.54 H new ATOM 0 HD22 ASN A 24 -2.231 -7.659 13.805 1.00 55.54 H new ATOM 316 N CYS A 25 -2.077 -2.098 11.725 1.00 72.50 N ATOM 317 CA CYS A 25 -1.950 -0.674 12.013 1.00 22.34 C ATOM 318 C CYS A 25 -2.330 0.163 10.797 1.00 45.05 C ATOM 319 O CYS A 25 -3.232 0.997 10.862 1.00 53.22 O ATOM 320 CB CYS A 25 -0.520 -0.347 12.447 1.00 13.42 C ATOM 321 SG CYS A 25 -0.025 1.362 12.126 1.00 42.34 S ATOM 0 H CYS A 25 -1.684 -2.383 10.828 1.00 72.50 H new ATOM 0 HA CYS A 25 -2.634 -0.430 12.826 1.00 22.34 H new ATOM 0 HB2 CYS A 25 -0.420 -0.549 13.513 1.00 13.42 H new ATOM 0 HB3 CYS A 25 0.167 -1.017 11.930 1.00 13.42 H new ATOM 0 HG CYS A 25 1.272 1.444 12.121 1.00 42.34 H new ATOM 327 N SER A 26 -1.633 -0.064 9.687 1.00 31.45 N ATOM 328 CA SER A 26 -1.893 0.673 8.457 1.00 74.03 C ATOM 329 C SER A 26 -1.217 0.000 7.267 1.00 63.44 C ATOM 330 O SER A 26 -0.043 -0.367 7.332 1.00 61.41 O ATOM 331 CB SER A 26 -1.402 2.116 8.588 1.00 71.10 C ATOM 332 OG SER A 26 -0.079 2.160 9.093 1.00 2.01 O ATOM 0 H SER A 26 -0.884 -0.753 9.615 1.00 31.45 H new ATOM 0 HA SER A 26 -2.970 0.677 8.286 1.00 74.03 H new ATOM 0 HB2 SER A 26 -1.440 2.606 7.615 1.00 71.10 H new ATOM 0 HB3 SER A 26 -2.066 2.671 9.251 1.00 71.10 H new ATOM 0 HG SER A 26 -0.084 1.925 10.044 1.00 2.01 H new ATOM 338 N CYS A 27 -1.965 -0.159 6.181 1.00 72.12 N ATOM 339 CA CYS A 27 -1.439 -0.789 4.975 1.00 71.11 C ATOM 340 C CYS A 27 -0.507 0.160 4.228 1.00 33.31 C ATOM 341 O CYS A 27 -0.728 0.469 3.058 1.00 13.42 O ATOM 342 CB CYS A 27 -2.585 -1.223 4.060 1.00 71.12 C ATOM 343 SG CYS A 27 -3.717 0.113 3.610 1.00 33.03 S ATOM 0 H CYS A 27 -2.938 0.140 6.111 1.00 72.12 H new ATOM 0 HA CYS A 27 -0.869 -1.669 5.273 1.00 71.11 H new ATOM 0 HB2 CYS A 27 -2.166 -1.652 3.150 1.00 71.12 H new ATOM 0 HB3 CYS A 27 -3.151 -2.013 4.554 1.00 71.12 H new ATOM 0 HG CYS A 27 -3.044 1.094 3.085 1.00 33.03 H new ATOM 349 N ASN A 28 0.535 0.619 4.914 1.00 73.13 N ATOM 350 CA ASN A 28 1.499 1.535 4.316 1.00 64.32 C ATOM 351 C ASN A 28 2.708 1.724 5.228 1.00 72.52 C ATOM 352 O ASN A 28 2.644 2.457 6.215 1.00 5.11 O ATOM 353 CB ASN A 28 0.843 2.888 4.034 1.00 73.41 C ATOM 354 CG ASN A 28 -0.157 3.279 5.105 1.00 53.13 C ATOM 355 OD1 ASN A 28 -1.339 2.945 5.018 1.00 21.22 O ATOM 356 ND2 ASN A 28 0.314 3.992 6.121 1.00 34.25 N ATOM 0 H ASN A 28 0.733 0.372 5.884 1.00 73.13 H new ATOM 0 HA ASN A 28 1.839 1.101 3.376 1.00 64.32 H new ATOM 0 HB2 ASN A 28 1.614 3.655 3.963 1.00 73.41 H new ATOM 0 HB3 ASN A 28 0.341 2.851 3.067 1.00 73.41 H new ATOM 0 HD21 ASN A 28 -0.312 4.286 6.871 1.00 34.25 H new ATOM 0 HD22 ASN A 28 1.301 4.246 6.151 1.00 34.25 H new ATOM 363 N CYS A 29 3.806 1.058 4.890 1.00 25.32 N ATOM 364 CA CYS A 29 5.030 1.152 5.679 1.00 61.35 C ATOM 365 C CYS A 29 6.252 0.822 4.827 1.00 10.13 C ATOM 366 O CYS A 29 6.157 0.714 3.605 1.00 5.02 O ATOM 367 CB CYS A 29 4.961 0.208 6.880 1.00 10.22 C ATOM 368 SG CYS A 29 3.342 -0.559 7.124 1.00 11.12 S ATOM 0 H CYS A 29 3.875 0.447 4.076 1.00 25.32 H new ATOM 0 HA CYS A 29 5.125 2.177 6.037 1.00 61.35 H new ATOM 0 HB2 CYS A 29 5.708 -0.576 6.755 1.00 10.22 H new ATOM 0 HB3 CYS A 29 5.228 0.762 7.780 1.00 10.22 H new ATOM 0 HG CYS A 29 3.486 -1.685 7.757 1.00 11.12 H new ATOM 374 N GLU A 30 7.398 0.665 5.482 1.00 2.22 N ATOM 375 CA GLU A 30 8.639 0.351 4.784 1.00 21.41 C ATOM 376 C GLU A 30 9.451 -0.685 5.557 1.00 0.44 C ATOM 377 O GLU A 30 10.185 -0.347 6.487 1.00 13.43 O ATOM 378 CB GLU A 30 9.471 1.618 4.580 1.00 41.41 C ATOM 379 CG GLU A 30 10.437 1.531 3.410 1.00 32.11 C ATOM 380 CD GLU A 30 11.888 1.563 3.848 1.00 1.30 C ATOM 381 OE1 GLU A 30 12.224 0.879 4.837 1.00 20.22 O ATOM 382 OE2 GLU A 30 12.688 2.273 3.203 1.00 74.35 O ATOM 0 H GLU A 30 7.493 0.750 6.494 1.00 2.22 H new ATOM 0 HA GLU A 30 8.382 -0.066 3.810 1.00 21.41 H new ATOM 0 HB2 GLU A 30 8.799 2.462 4.424 1.00 41.41 H new ATOM 0 HB3 GLU A 30 10.034 1.823 5.490 1.00 41.41 H new ATOM 0 HG2 GLU A 30 10.249 0.611 2.856 1.00 32.11 H new ATOM 0 HG3 GLU A 30 10.249 2.359 2.726 1.00 32.11 H new ATOM 389 N LEU A 31 9.314 -1.947 5.167 1.00 51.10 N ATOM 390 CA LEU A 31 10.034 -3.033 5.823 1.00 72.10 C ATOM 391 C LEU A 31 9.986 -4.304 4.981 1.00 23.22 C ATOM 392 O LEU A 31 8.934 -4.679 4.463 1.00 64.22 O ATOM 393 CB LEU A 31 9.440 -3.302 7.207 1.00 43.20 C ATOM 394 CG LEU A 31 10.422 -3.257 8.378 1.00 21.34 C ATOM 395 CD1 LEU A 31 9.727 -2.768 9.639 1.00 33.44 C ATOM 396 CD2 LEU A 31 11.043 -4.628 8.607 1.00 54.04 C ATOM 0 H LEU A 31 8.711 -2.244 4.400 1.00 51.10 H new ATOM 0 HA LEU A 31 11.076 -2.731 5.934 1.00 72.10 H new ATOM 0 HB2 LEU A 31 8.652 -2.571 7.391 1.00 43.20 H new ATOM 0 HB3 LEU A 31 8.967 -4.284 7.193 1.00 43.20 H new ATOM 0 HG LEU A 31 11.219 -2.556 8.132 1.00 21.34 H new ATOM 0 HD11 LEU A 31 10.442 -2.743 10.462 1.00 33.44 H new ATOM 0 HD12 LEU A 31 9.331 -1.766 9.471 1.00 33.44 H new ATOM 0 HD13 LEU A 31 8.909 -3.444 9.889 1.00 33.44 H new ATOM 0 HD21 LEU A 31 11.739 -4.577 9.444 1.00 54.04 H new ATOM 0 HD22 LEU A 31 10.258 -5.350 8.831 1.00 54.04 H new ATOM 0 HD23 LEU A 31 11.577 -4.940 7.710 1.00 54.04 H new ATOM 408 N PHE A 32 11.132 -4.965 4.851 1.00 2.41 N ATOM 409 CA PHE A 32 11.221 -6.195 4.073 1.00 4.04 C ATOM 410 C PHE A 32 11.967 -7.276 4.850 1.00 71.41 C ATOM 411 O PHE A 32 13.095 -7.633 4.510 1.00 21.44 O ATOM 412 CB PHE A 32 11.925 -5.931 2.741 1.00 64.12 C ATOM 413 CG PHE A 32 13.259 -5.256 2.891 1.00 70.44 C ATOM 414 CD1 PHE A 32 13.338 -3.915 3.228 1.00 15.12 C ATOM 415 CD2 PHE A 32 14.434 -5.964 2.693 1.00 0.34 C ATOM 416 CE1 PHE A 32 14.563 -3.291 3.367 1.00 21.12 C ATOM 417 CE2 PHE A 32 15.662 -5.345 2.831 1.00 23.34 C ATOM 418 CZ PHE A 32 15.727 -4.007 3.168 1.00 70.25 C ATOM 0 H PHE A 32 12.012 -4.669 5.274 1.00 2.41 H new ATOM 0 HA PHE A 32 10.208 -6.546 3.877 1.00 4.04 H new ATOM 0 HB2 PHE A 32 12.062 -6.877 2.218 1.00 64.12 H new ATOM 0 HB3 PHE A 32 11.282 -5.312 2.116 1.00 64.12 H new ATOM 0 HD1 PHE A 32 12.431 -3.350 3.384 1.00 15.12 H new ATOM 0 HD2 PHE A 32 14.390 -7.010 2.428 1.00 0.34 H new ATOM 0 HE1 PHE A 32 14.610 -2.245 3.631 1.00 21.12 H new ATOM 0 HE2 PHE A 32 16.571 -5.907 2.675 1.00 23.34 H new ATOM 0 HZ PHE A 32 16.686 -3.522 3.276 1.00 70.25 H new ATOM 428 N ASP A 33 11.328 -7.793 5.894 1.00 4.10 N ATOM 429 CA ASP A 33 11.930 -8.834 6.720 1.00 54.05 C ATOM 430 C ASP A 33 10.862 -9.772 7.274 1.00 61.11 C ATOM 431 O ASP A 33 10.264 -9.503 8.316 1.00 3.22 O ATOM 432 CB ASP A 33 12.723 -8.209 7.868 1.00 63.11 C ATOM 433 CG ASP A 33 13.971 -7.495 7.388 1.00 65.02 C ATOM 434 OD1 ASP A 33 13.843 -6.387 6.826 1.00 15.22 O ATOM 435 OD2 ASP A 33 15.077 -8.044 7.574 1.00 3.14 O ATOM 0 H ASP A 33 10.394 -7.509 6.188 1.00 4.10 H new ATOM 0 HA ASP A 33 12.609 -9.414 6.094 1.00 54.05 H new ATOM 0 HB2 ASP A 33 12.087 -7.503 8.403 1.00 63.11 H new ATOM 0 HB3 ASP A 33 13.003 -8.987 8.578 1.00 63.11 H new ATOM 440 N CYS A 34 10.627 -10.874 6.570 1.00 74.13 N ATOM 441 CA CYS A 34 9.630 -11.852 6.989 1.00 23.24 C ATOM 442 C CYS A 34 9.988 -13.246 6.480 1.00 14.50 C ATOM 443 O CYS A 34 11.008 -13.432 5.819 1.00 43.05 O ATOM 444 CB CYS A 34 8.245 -11.451 6.480 1.00 53.32 C ATOM 445 SG CYS A 34 8.166 -9.767 5.788 1.00 60.55 S ATOM 0 H CYS A 34 11.114 -11.112 5.706 1.00 74.13 H new ATOM 0 HA CYS A 34 9.616 -11.875 8.079 1.00 23.24 H new ATOM 0 HB2 CYS A 34 7.931 -12.162 5.715 1.00 53.32 H new ATOM 0 HB3 CYS A 34 7.531 -11.529 7.300 1.00 53.32 H new ATOM 450 N GLU A 35 9.139 -14.220 6.793 1.00 2.25 N ATOM 451 CA GLU A 35 9.366 -15.596 6.368 1.00 42.12 C ATOM 452 C GLU A 35 8.117 -16.445 6.584 1.00 60.34 C ATOM 453 O GLU A 35 7.640 -16.591 7.708 1.00 33.54 O ATOM 454 CB GLU A 35 10.546 -16.201 7.131 1.00 21.22 C ATOM 455 CG GLU A 35 10.364 -16.192 8.640 1.00 42.13 C ATOM 456 CD GLU A 35 11.672 -16.369 9.386 1.00 2.11 C ATOM 457 OE1 GLU A 35 12.726 -16.462 8.722 1.00 73.32 O ATOM 458 OE2 GLU A 35 11.643 -16.414 10.634 1.00 73.34 O ATOM 0 H GLU A 35 8.289 -14.082 7.339 1.00 2.25 H new ATOM 0 HA GLU A 35 9.598 -15.587 5.303 1.00 42.12 H new ATOM 0 HB2 GLU A 35 10.695 -17.228 6.798 1.00 21.22 H new ATOM 0 HB3 GLU A 35 11.452 -15.649 6.879 1.00 21.22 H new ATOM 0 HG2 GLU A 35 9.903 -15.251 8.941 1.00 42.13 H new ATOM 0 HG3 GLU A 35 9.677 -16.989 8.924 1.00 42.13 H new ATOM 465 N ALA A 36 7.593 -17.003 5.497 1.00 14.40 N ATOM 466 CA ALA A 36 6.400 -17.838 5.567 1.00 64.33 C ATOM 467 C ALA A 36 6.574 -18.959 6.586 1.00 64.11 C ATOM 468 O ALA A 36 7.597 -19.645 6.602 1.00 73.13 O ATOM 469 CB ALA A 36 6.079 -18.414 4.196 1.00 72.34 C ATOM 0 H ALA A 36 7.976 -16.892 4.558 1.00 14.40 H new ATOM 0 HA ALA A 36 5.567 -17.214 5.891 1.00 64.33 H new ATOM 0 HB1 ALA A 36 5.186 -19.035 4.262 1.00 72.34 H new ATOM 0 HB2 ALA A 36 5.904 -17.601 3.492 1.00 72.34 H new ATOM 0 HB3 ALA A 36 6.917 -19.019 3.850 1.00 72.34 H new ATOM 475 N LYS A 37 5.570 -19.140 7.437 1.00 41.22 N ATOM 476 CA LYS A 37 5.611 -20.178 8.460 1.00 51.10 C ATOM 477 C LYS A 37 4.233 -20.383 9.082 1.00 4.02 C ATOM 478 O LYS A 37 3.276 -19.690 8.738 1.00 13.23 O ATOM 479 CB LYS A 37 6.624 -19.812 9.547 1.00 11.21 C ATOM 480 CG LYS A 37 7.608 -20.925 9.862 1.00 73.54 C ATOM 481 CD LYS A 37 8.868 -20.811 9.020 1.00 14.30 C ATOM 482 CE LYS A 37 10.109 -21.163 9.825 1.00 63.24 C ATOM 483 NZ LYS A 37 11.323 -20.477 9.301 1.00 13.53 N ATOM 0 H LYS A 37 4.717 -18.581 7.438 1.00 41.22 H new ATOM 0 HA LYS A 37 5.918 -21.110 7.985 1.00 51.10 H new ATOM 0 HB2 LYS A 37 7.178 -18.927 9.233 1.00 11.21 H new ATOM 0 HB3 LYS A 37 6.087 -19.545 10.457 1.00 11.21 H new ATOM 0 HG2 LYS A 37 7.871 -20.890 10.919 1.00 73.54 H new ATOM 0 HG3 LYS A 37 7.136 -21.891 9.683 1.00 73.54 H new ATOM 0 HD2 LYS A 37 8.792 -21.474 8.158 1.00 14.30 H new ATOM 0 HD3 LYS A 37 8.959 -19.795 8.635 1.00 14.30 H new ATOM 0 HE2 LYS A 37 9.956 -20.885 10.868 1.00 63.24 H new ATOM 0 HE3 LYS A 37 10.263 -22.242 9.802 1.00 63.24 H new ATOM 0 HZ1 LYS A 37 12.148 -20.743 9.876 1.00 13.53 H new ATOM 0 HZ2 LYS A 37 11.484 -20.762 8.314 1.00 13.53 H new ATOM 0 HZ3 LYS A 37 11.187 -19.447 9.347 1.00 13.53 H new ATOM 497 N LYS A 38 4.141 -21.338 10.001 1.00 75.30 N ATOM 498 CA LYS A 38 2.881 -21.633 10.674 1.00 22.41 C ATOM 499 C LYS A 38 3.128 -22.163 12.083 1.00 4.52 C ATOM 500 O LYS A 38 3.260 -23.366 12.306 1.00 72.20 O ATOM 501 CB LYS A 38 2.076 -22.655 9.868 1.00 33.12 C ATOM 502 CG LYS A 38 1.650 -22.151 8.500 1.00 33.22 C ATOM 503 CD LYS A 38 2.687 -22.475 7.439 1.00 65.14 C ATOM 504 CE LYS A 38 2.737 -21.402 6.362 1.00 41.11 C ATOM 505 NZ LYS A 38 4.125 -21.170 5.874 1.00 53.41 N ATOM 0 H LYS A 38 4.924 -21.921 10.297 1.00 75.30 H new ATOM 0 HA LYS A 38 2.311 -20.707 10.747 1.00 22.41 H new ATOM 0 HB2 LYS A 38 2.673 -23.558 9.743 1.00 33.12 H new ATOM 0 HB3 LYS A 38 1.188 -22.935 10.435 1.00 33.12 H new ATOM 0 HG2 LYS A 38 0.696 -22.601 8.227 1.00 33.22 H new ATOM 0 HG3 LYS A 38 1.494 -21.073 8.541 1.00 33.22 H new ATOM 0 HD2 LYS A 38 3.668 -22.570 7.905 1.00 65.14 H new ATOM 0 HD3 LYS A 38 2.455 -23.438 6.984 1.00 65.14 H new ATOM 0 HE2 LYS A 38 2.103 -21.697 5.526 1.00 41.11 H new ATOM 0 HE3 LYS A 38 2.331 -20.471 6.758 1.00 41.11 H new ATOM 0 HZ1 LYS A 38 4.333 -20.151 5.890 1.00 53.41 H new ATOM 0 HZ2 LYS A 38 4.798 -21.670 6.489 1.00 53.41 H new ATOM 0 HZ3 LYS A 38 4.215 -21.526 4.901 1.00 53.41 H new ATOM 519 N PRO A 39 3.192 -21.244 13.058 1.00 1.15 N ATOM 520 CA PRO A 39 3.422 -21.595 14.463 1.00 33.20 C ATOM 521 C PRO A 39 2.228 -22.314 15.083 1.00 3.44 C ATOM 522 O PRO A 39 2.290 -22.766 16.227 1.00 53.22 O ATOM 523 CB PRO A 39 3.639 -20.238 15.137 1.00 35.22 C ATOM 524 CG PRO A 39 2.921 -19.264 14.268 1.00 75.40 C ATOM 525 CD PRO A 39 3.044 -19.792 12.865 1.00 4.42 C ATOM 0 HA PRO A 39 4.260 -22.282 14.580 1.00 33.20 H new ATOM 0 HB2 PRO A 39 3.241 -20.232 16.152 1.00 35.22 H new ATOM 0 HB3 PRO A 39 4.700 -19.997 15.209 1.00 35.22 H new ATOM 0 HG2 PRO A 39 1.875 -19.176 14.562 1.00 75.40 H new ATOM 0 HG3 PRO A 39 3.360 -18.270 14.351 1.00 75.40 H new ATOM 0 HD2 PRO A 39 2.164 -19.554 12.268 1.00 4.42 H new ATOM 0 HD3 PRO A 39 3.904 -19.366 12.349 1.00 4.42 H new ATOM 533 N ASP A 40 1.144 -22.415 14.322 1.00 22.55 N ATOM 534 CA ASP A 40 -0.064 -23.081 14.797 1.00 5.34 C ATOM 535 C ASP A 40 -1.006 -23.388 13.638 1.00 33.01 C ATOM 536 O ASP A 40 -1.160 -22.584 12.720 1.00 14.31 O ATOM 537 CB ASP A 40 -0.776 -22.211 15.834 1.00 35.11 C ATOM 538 CG ASP A 40 -0.549 -22.697 17.252 1.00 10.31 C ATOM 539 OD1 ASP A 40 -0.394 -21.846 18.153 1.00 1.03 O ATOM 540 OD2 ASP A 40 -0.527 -23.928 17.461 1.00 50.42 O ATOM 0 H ASP A 40 1.077 -22.045 13.374 1.00 22.55 H new ATOM 0 HA ASP A 40 0.228 -24.022 15.263 1.00 5.34 H new ATOM 0 HB2 ASP A 40 -0.424 -21.183 15.745 1.00 35.11 H new ATOM 0 HB3 ASP A 40 -1.845 -22.201 15.623 1.00 35.11 H new ATOM 545 N GLY A 41 -1.635 -24.559 13.687 1.00 44.10 N ATOM 546 CA GLY A 41 -2.553 -24.952 12.635 1.00 72.33 C ATOM 547 C GLY A 41 -3.194 -23.762 11.949 1.00 0.34 C ATOM 548 O GLY A 41 -4.402 -23.550 12.059 1.00 44.05 O ATOM 0 H GLY A 41 -1.525 -25.242 14.437 1.00 44.10 H new ATOM 0 HA2 GLY A 41 -2.019 -25.549 11.896 1.00 72.33 H new ATOM 0 HA3 GLY A 41 -3.332 -25.588 13.056 1.00 72.33 H new ATOM 552 N SER A 42 -2.383 -22.981 11.242 1.00 33.11 N ATOM 553 CA SER A 42 -2.877 -21.802 10.541 1.00 54.12 C ATOM 554 C SER A 42 -1.733 -21.052 9.867 1.00 42.45 C ATOM 555 O SER A 42 -0.560 -21.328 10.120 1.00 71.25 O ATOM 556 CB SER A 42 -3.608 -20.874 11.513 1.00 54.54 C ATOM 557 OG SER A 42 -2.843 -20.659 12.686 1.00 35.21 O ATOM 0 H SER A 42 -1.381 -23.144 11.140 1.00 33.11 H new ATOM 0 HA SER A 42 -3.575 -22.133 9.771 1.00 54.12 H new ATOM 0 HB2 SER A 42 -3.810 -19.920 11.027 1.00 54.54 H new ATOM 0 HB3 SER A 42 -4.572 -21.307 11.778 1.00 54.54 H new ATOM 0 HG SER A 42 -1.975 -21.105 12.597 1.00 35.21 H new ATOM 563 N TYR A 43 -2.082 -20.101 9.007 1.00 14.01 N ATOM 564 CA TYR A 43 -1.086 -19.312 8.294 1.00 44.54 C ATOM 565 C TYR A 43 -0.611 -18.137 9.143 1.00 10.43 C ATOM 566 O TYR A 43 -1.401 -17.504 9.844 1.00 45.01 O ATOM 567 CB TYR A 43 -1.660 -18.800 6.972 1.00 55.13 C ATOM 568 CG TYR A 43 -0.897 -19.274 5.756 1.00 41.43 C ATOM 569 CD1 TYR A 43 -0.825 -20.625 5.440 1.00 44.35 C ATOM 570 CD2 TYR A 43 -0.247 -18.371 4.924 1.00 50.54 C ATOM 571 CE1 TYR A 43 -0.128 -21.062 4.330 1.00 65.41 C ATOM 572 CE2 TYR A 43 0.451 -18.799 3.811 1.00 0.02 C ATOM 573 CZ TYR A 43 0.508 -20.146 3.519 1.00 41.33 C ATOM 574 OH TYR A 43 1.204 -20.577 2.412 1.00 14.43 O ATOM 0 H TYR A 43 -3.048 -19.858 8.787 1.00 14.01 H new ATOM 0 HA TYR A 43 -0.232 -19.956 8.086 1.00 44.54 H new ATOM 0 HB2 TYR A 43 -2.698 -19.122 6.887 1.00 55.13 H new ATOM 0 HB3 TYR A 43 -1.664 -17.710 6.986 1.00 55.13 H new ATOM 0 HD1 TYR A 43 -1.322 -21.346 6.073 1.00 44.35 H new ATOM 0 HD2 TYR A 43 -0.288 -17.316 5.151 1.00 50.54 H new ATOM 0 HE1 TYR A 43 -0.082 -22.116 4.099 1.00 65.41 H new ATOM 0 HE2 TYR A 43 0.949 -18.083 3.174 1.00 0.02 H new ATOM 0 HH TYR A 43 1.592 -19.805 1.948 1.00 14.43 H new ATOM 584 N ALA A 44 0.685 -17.851 9.075 1.00 40.33 N ATOM 585 CA ALA A 44 1.266 -16.751 9.835 1.00 50.14 C ATOM 586 C ALA A 44 2.682 -16.443 9.359 1.00 11.15 C ATOM 587 O ALA A 44 3.560 -17.306 9.392 1.00 51.21 O ATOM 588 CB ALA A 44 1.265 -17.078 11.321 1.00 43.24 C ATOM 0 H ALA A 44 1.353 -18.366 8.501 1.00 40.33 H new ATOM 0 HA ALA A 44 0.655 -15.864 9.669 1.00 50.14 H new ATOM 0 HB1 ALA A 44 1.702 -16.248 11.876 1.00 43.24 H new ATOM 0 HB2 ALA A 44 0.241 -17.241 11.657 1.00 43.24 H new ATOM 0 HB3 ALA A 44 1.852 -17.980 11.495 1.00 43.24 H new ATOM 594 N HIS A 45 2.897 -15.208 8.918 1.00 44.14 N ATOM 595 CA HIS A 45 4.208 -14.786 8.435 1.00 32.33 C ATOM 596 C HIS A 45 4.191 -13.315 8.033 1.00 11.40 C ATOM 597 O HIS A 45 4.328 -12.965 6.861 1.00 41.14 O ATOM 598 CB HIS A 45 4.638 -15.647 7.247 1.00 4.11 C ATOM 599 CG HIS A 45 3.634 -15.681 6.137 1.00 53.11 C ATOM 600 ND1 HIS A 45 3.864 -15.125 4.896 1.00 20.12 N ATOM 601 CD2 HIS A 45 2.389 -16.210 6.085 1.00 20.32 C ATOM 602 CE1 HIS A 45 2.804 -15.310 4.130 1.00 51.41 C ATOM 603 NE2 HIS A 45 1.895 -15.966 4.828 1.00 74.14 N ATOM 0 H HIS A 45 2.181 -14.482 8.885 1.00 44.14 H new ATOM 0 HA HIS A 45 4.925 -14.914 9.246 1.00 32.33 H new ATOM 0 HB2 HIS A 45 5.584 -15.269 6.859 1.00 4.11 H new ATOM 0 HB3 HIS A 45 4.819 -16.665 7.593 1.00 4.11 H new ATOM 0 HD2 HIS A 45 1.879 -16.728 6.884 1.00 20.32 H new ATOM 0 HE1 HIS A 45 2.699 -14.981 3.107 1.00 51.41 H new ATOM 0 HE2 HIS A 45 0.975 -16.246 4.488 1.00 74.14 H new ATOM 611 N PRO A 46 4.018 -12.431 9.027 1.00 0.20 N ATOM 612 CA PRO A 46 3.979 -10.983 8.801 1.00 11.10 C ATOM 613 C PRO A 46 5.340 -10.421 8.406 1.00 3.23 C ATOM 614 O PRO A 46 5.736 -10.485 7.242 1.00 61.00 O ATOM 615 CB PRO A 46 3.542 -10.424 10.157 1.00 4.15 C ATOM 616 CG PRO A 46 3.973 -11.451 11.147 1.00 71.12 C ATOM 617 CD PRO A 46 3.848 -12.777 10.448 1.00 1.22 C ATOM 0 HA PRO A 46 3.313 -10.716 7.980 1.00 11.10 H new ATOM 0 HB2 PRO A 46 4.010 -9.460 10.357 1.00 4.15 H new ATOM 0 HB3 PRO A 46 2.464 -10.268 10.192 1.00 4.15 H new ATOM 0 HG2 PRO A 46 4.999 -11.275 11.470 1.00 71.12 H new ATOM 0 HG3 PRO A 46 3.348 -11.420 12.039 1.00 71.12 H new ATOM 0 HD2 PRO A 46 4.609 -13.482 10.784 1.00 1.22 H new ATOM 0 HD3 PRO A 46 2.879 -13.240 10.636 1.00 1.22 H new ATOM 625 N CYS A 47 6.054 -9.870 9.383 1.00 75.02 N ATOM 626 CA CYS A 47 7.371 -9.296 9.138 1.00 62.30 C ATOM 627 C CYS A 47 8.152 -9.150 10.441 1.00 34.32 C ATOM 628 O CYS A 47 7.676 -9.539 11.508 1.00 24.42 O ATOM 629 CB CYS A 47 7.238 -7.934 8.455 1.00 43.31 C ATOM 630 SG CYS A 47 7.354 -7.998 6.638 1.00 20.41 S ATOM 0 H CYS A 47 5.742 -9.809 10.352 1.00 75.02 H new ATOM 0 HA CYS A 47 7.918 -9.972 8.481 1.00 62.30 H new ATOM 0 HB2 CYS A 47 6.280 -7.493 8.732 1.00 43.31 H new ATOM 0 HB3 CYS A 47 8.016 -7.272 8.835 1.00 43.31 H new ATOM 635 N ARG A 48 9.351 -8.587 10.346 1.00 45.11 N ATOM 636 CA ARG A 48 10.198 -8.390 11.516 1.00 22.13 C ATOM 637 C ARG A 48 9.361 -8.343 12.791 1.00 1.12 C ATOM 638 O ARG A 48 9.416 -9.256 13.616 1.00 51.44 O ATOM 639 CB ARG A 48 11.007 -7.099 11.376 1.00 14.11 C ATOM 640 CG ARG A 48 12.510 -7.320 11.368 1.00 44.31 C ATOM 641 CD ARG A 48 13.245 -6.174 12.046 1.00 44.25 C ATOM 642 NE ARG A 48 14.014 -5.377 11.093 1.00 55.21 N ATOM 643 CZ ARG A 48 14.651 -4.257 11.417 1.00 71.31 C ATOM 644 NH1 ARG A 48 14.613 -3.805 12.663 1.00 75.42 N ATOM 645 NH2 ARG A 48 15.329 -3.588 10.494 1.00 41.53 N ATOM 0 H ARG A 48 9.759 -8.259 9.470 1.00 45.11 H new ATOM 0 HA ARG A 48 10.884 -9.234 11.583 1.00 22.13 H new ATOM 0 HB2 ARG A 48 10.717 -6.597 10.453 1.00 14.11 H new ATOM 0 HB3 ARG A 48 10.751 -6.429 12.197 1.00 14.11 H new ATOM 0 HG2 ARG A 48 12.744 -8.255 11.876 1.00 44.31 H new ATOM 0 HG3 ARG A 48 12.859 -7.420 10.340 1.00 44.31 H new ATOM 0 HD2 ARG A 48 12.526 -5.534 12.557 1.00 44.25 H new ATOM 0 HD3 ARG A 48 13.914 -6.573 12.808 1.00 44.25 H new ATOM 0 HE ARG A 48 14.065 -5.698 10.126 1.00 55.21 H new ATOM 0 HH11 ARG A 48 14.094 -4.317 13.376 1.00 75.42 H new ATOM 0 HH12 ARG A 48 15.103 -2.945 12.909 1.00 75.42 H new ATOM 0 HH21 ARG A 48 15.362 -3.933 9.535 1.00 41.53 H new ATOM 0 HH22 ARG A 48 15.818 -2.728 10.743 1.00 41.53 H new ATOM 659 N ARG A 49 8.588 -7.273 12.946 1.00 71.10 N ATOM 660 CA ARG A 49 7.741 -7.106 14.121 1.00 70.11 C ATOM 661 C ARG A 49 7.071 -8.424 14.500 1.00 52.43 C ATOM 662 O ARG A 49 6.300 -8.986 13.721 1.00 65.24 O ATOM 663 CB ARG A 49 6.678 -6.037 13.862 1.00 40.12 C ATOM 664 CG ARG A 49 7.165 -4.620 14.117 1.00 14.24 C ATOM 665 CD ARG A 49 7.391 -4.367 15.600 1.00 72.42 C ATOM 666 NE ARG A 49 7.844 -3.004 15.860 1.00 42.31 N ATOM 667 CZ ARG A 49 8.545 -2.654 16.933 1.00 63.33 C ATOM 668 NH1 ARG A 49 8.872 -3.564 17.840 1.00 10.14 N ATOM 669 NH2 ARG A 49 8.921 -1.393 17.099 1.00 5.20 N ATOM 0 H ARG A 49 8.531 -6.509 12.273 1.00 71.10 H new ATOM 0 HA ARG A 49 8.372 -6.787 14.951 1.00 70.11 H new ATOM 0 HB2 ARG A 49 6.340 -6.116 12.829 1.00 40.12 H new ATOM 0 HB3 ARG A 49 5.814 -6.235 14.496 1.00 40.12 H new ATOM 0 HG2 ARG A 49 8.093 -4.450 13.572 1.00 14.24 H new ATOM 0 HG3 ARG A 49 6.434 -3.908 13.732 1.00 14.24 H new ATOM 0 HD2 ARG A 49 6.465 -4.551 16.144 1.00 72.42 H new ATOM 0 HD3 ARG A 49 8.130 -5.073 15.980 1.00 72.42 H new ATOM 0 HE ARG A 49 7.609 -2.280 15.180 1.00 42.31 H new ATOM 0 HH11 ARG A 49 8.585 -4.535 17.715 1.00 10.14 H new ATOM 0 HH12 ARG A 49 9.410 -3.293 18.663 1.00 10.14 H new ATOM 0 HH21 ARG A 49 8.672 -0.691 16.402 1.00 5.20 H new ATOM 0 HH22 ARG A 49 9.459 -1.126 17.923 1.00 5.20 H new ATOM 683 N CYS A 50 7.370 -8.910 15.699 1.00 14.32 N ATOM 684 CA CYS A 50 6.797 -10.162 16.181 1.00 3.21 C ATOM 685 C CYS A 50 5.275 -10.134 16.091 1.00 70.13 C ATOM 686 O CYS A 50 4.614 -9.390 16.815 1.00 54.44 O ATOM 687 CB CYS A 50 7.230 -10.422 17.625 1.00 71.34 C ATOM 688 SG CYS A 50 7.219 -12.168 18.095 1.00 72.20 S ATOM 0 H CYS A 50 8.006 -8.457 16.355 1.00 14.32 H new ATOM 0 HA CYS A 50 7.165 -10.969 15.548 1.00 3.21 H new ATOM 0 HB2 CYS A 50 8.235 -10.024 17.769 1.00 71.34 H new ATOM 0 HB3 CYS A 50 6.570 -9.872 18.296 1.00 71.34 H new ATOM 0 HG CYS A 50 8.054 -12.359 19.073 1.00 72.20 H new ATOM 694 N ASP A 51 4.726 -10.949 15.197 1.00 52.35 N ATOM 695 CA ASP A 51 3.281 -11.017 15.011 1.00 61.45 C ATOM 696 C ASP A 51 2.918 -12.053 13.951 1.00 22.42 C ATOM 697 O ASP A 51 3.751 -12.869 13.556 1.00 35.21 O ATOM 698 CB ASP A 51 2.731 -9.647 14.611 1.00 21.32 C ATOM 699 CG ASP A 51 2.859 -9.383 13.124 1.00 73.32 C ATOM 700 OD1 ASP A 51 1.833 -9.466 12.416 1.00 12.30 O ATOM 701 OD2 ASP A 51 3.984 -9.093 12.668 1.00 62.45 O ATOM 0 H ASP A 51 5.259 -11.572 14.590 1.00 52.35 H new ATOM 0 HA ASP A 51 2.832 -11.318 15.957 1.00 61.45 H new ATOM 0 HB2 ASP A 51 1.682 -9.582 14.900 1.00 21.32 H new ATOM 0 HB3 ASP A 51 3.262 -8.871 15.162 1.00 21.32 H new ATOM 706 N ALA A 52 1.670 -12.015 13.496 1.00 20.15 N ATOM 707 CA ALA A 52 1.197 -12.950 12.483 1.00 44.33 C ATOM 708 C ALA A 52 -0.290 -12.757 12.209 1.00 53.40 C ATOM 709 O ALA A 52 -0.990 -12.092 12.972 1.00 40.34 O ATOM 710 CB ALA A 52 1.475 -14.382 12.915 1.00 50.13 C ATOM 0 H ALA A 52 0.968 -11.346 13.813 1.00 20.15 H new ATOM 0 HA ALA A 52 1.739 -12.750 11.559 1.00 44.33 H new ATOM 0 HB1 ALA A 52 1.116 -15.069 12.149 1.00 50.13 H new ATOM 0 HB2 ALA A 52 2.548 -14.519 13.052 1.00 50.13 H new ATOM 0 HB3 ALA A 52 0.960 -14.585 13.854 1.00 50.13 H new ATOM 716 N ASN A 53 -0.767 -13.342 11.115 1.00 41.10 N ATOM 717 CA ASN A 53 -2.172 -13.233 10.740 1.00 10.21 C ATOM 718 C ASN A 53 -2.950 -14.469 11.180 1.00 60.42 C ATOM 719 O ASN A 53 -3.054 -15.446 10.438 1.00 0.45 O ATOM 720 CB ASN A 53 -2.305 -13.044 9.228 1.00 63.04 C ATOM 721 CG ASN A 53 -2.457 -11.586 8.838 1.00 64.31 C ATOM 722 OD1 ASN A 53 -3.679 -11.075 8.927 1.00 33.41 O flip ATOM 723 ND2 ASN A 53 -1.486 -10.928 8.462 1.00 42.35 N flip ATOM 0 H ASN A 53 -0.201 -13.896 10.473 1.00 41.10 H new ATOM 0 HA ASN A 53 -2.591 -12.363 11.246 1.00 10.21 H new ATOM 0 HB2 ASN A 53 -1.427 -13.460 8.734 1.00 63.04 H new ATOM 0 HB3 ASN A 53 -3.168 -13.605 8.869 1.00 63.04 H new ATOM 0 HD21 ASN A 53 -0.565 -11.363 8.409 1.00 42.35 H new ATOM 0 HD22 ASN A 53 -1.603 -9.948 8.204 1.00 42.35 H new ATOM 730 N ASN A 54 -3.495 -14.419 12.391 1.00 72.12 N ATOM 731 CA ASN A 54 -4.264 -15.535 12.930 1.00 71.12 C ATOM 732 C ASN A 54 -5.370 -15.951 11.964 1.00 2.51 C ATOM 733 O ASN A 54 -6.436 -15.337 11.925 1.00 54.51 O ATOM 734 CB ASN A 54 -4.869 -15.158 14.284 1.00 70.14 C ATOM 735 CG ASN A 54 -3.954 -15.505 15.442 1.00 11.33 C ATOM 736 OD1 ASN A 54 -2.666 -15.222 15.284 1.00 54.34 O flip ATOM 737 ND2 ASN A 54 -4.400 -16.020 16.468 1.00 72.51 N flip ATOM 0 H ASN A 54 -3.418 -13.618 13.018 1.00 72.12 H new ATOM 0 HA ASN A 54 -3.587 -16.379 13.064 1.00 71.12 H new ATOM 0 HB2 ASN A 54 -5.081 -14.089 14.299 1.00 70.14 H new ATOM 0 HB3 ASN A 54 -5.821 -15.673 14.410 1.00 70.14 H new ATOM 0 HD21 ASN A 54 -5.397 -16.220 16.546 1.00 72.51 H new ATOM 0 HD22 ASN A 54 -3.772 -16.246 17.239 1.00 72.51 H new ATOM 744 N ILE A 55 -5.107 -16.996 11.188 1.00 74.44 N ATOM 745 CA ILE A 55 -6.081 -17.495 10.224 1.00 44.33 C ATOM 746 C ILE A 55 -6.420 -18.957 10.491 1.00 21.10 C ATOM 747 O ILE A 55 -5.798 -19.861 9.932 1.00 75.54 O ATOM 748 CB ILE A 55 -5.565 -17.355 8.779 1.00 3.13 C ATOM 749 CG1 ILE A 55 -6.566 -17.965 7.796 1.00 44.22 C ATOM 750 CG2 ILE A 55 -4.203 -18.018 8.637 1.00 42.22 C ATOM 751 CD1 ILE A 55 -6.094 -17.937 6.359 1.00 71.22 C ATOM 0 H ILE A 55 -4.228 -17.514 11.207 1.00 74.44 H new ATOM 0 HA ILE A 55 -6.980 -16.889 10.341 1.00 44.33 H new ATOM 0 HB ILE A 55 -5.457 -16.295 8.548 1.00 3.13 H new ATOM 0 HG12 ILE A 55 -6.764 -18.997 8.085 1.00 44.22 H new ATOM 0 HG13 ILE A 55 -7.511 -17.426 7.870 1.00 44.22 H new ATOM 0 HG21 ILE A 55 -3.851 -17.911 7.611 1.00 42.22 H new ATOM 0 HG22 ILE A 55 -3.494 -17.542 9.315 1.00 42.22 H new ATOM 0 HG23 ILE A 55 -4.286 -19.077 8.883 1.00 42.22 H new ATOM 0 HD11 ILE A 55 -6.853 -18.385 5.718 1.00 71.22 H new ATOM 0 HD12 ILE A 55 -5.923 -16.905 6.052 1.00 71.22 H new ATOM 0 HD13 ILE A 55 -5.165 -18.500 6.270 1.00 71.22 H new ATOM 763 N CYS A 56 -7.410 -19.182 11.348 1.00 50.25 N ATOM 764 CA CYS A 56 -7.834 -20.535 11.689 1.00 64.33 C ATOM 765 C CYS A 56 -8.617 -21.165 10.542 1.00 71.13 C ATOM 766 O CYS A 56 -9.826 -20.968 10.419 1.00 12.20 O ATOM 767 CB CYS A 56 -8.687 -20.520 12.958 1.00 60.23 C ATOM 768 SG CYS A 56 -7.868 -21.227 14.406 1.00 20.25 S ATOM 0 H CYS A 56 -7.934 -18.445 11.819 1.00 50.25 H new ATOM 0 HA CYS A 56 -6.941 -21.135 11.867 1.00 64.33 H new ATOM 0 HB2 CYS A 56 -8.970 -19.491 13.180 1.00 60.23 H new ATOM 0 HB3 CYS A 56 -9.609 -21.071 12.770 1.00 60.23 H new ATOM 0 HG CYS A 56 -8.668 -21.167 15.429 1.00 20.25 H new ATOM 774 N LYS A 57 -7.920 -21.923 9.702 1.00 31.11 N ATOM 775 CA LYS A 57 -8.549 -22.582 8.564 1.00 61.52 C ATOM 776 C LYS A 57 -9.991 -22.117 8.394 1.00 54.41 C ATOM 777 O LYS A 57 -10.884 -22.919 8.118 1.00 13.13 O ATOM 778 CB LYS A 57 -8.510 -24.102 8.743 1.00 53.21 C ATOM 779 CG LYS A 57 -9.112 -24.575 10.055 1.00 73.14 C ATOM 780 CD LYS A 57 -8.221 -25.597 10.741 1.00 40.41 C ATOM 781 CE LYS A 57 -6.981 -24.945 11.333 1.00 23.44 C ATOM 782 NZ LYS A 57 -6.748 -25.373 12.741 1.00 72.23 N ATOM 0 H LYS A 57 -6.919 -22.096 9.788 1.00 31.11 H new ATOM 0 HA LYS A 57 -7.991 -22.313 7.667 1.00 61.52 H new ATOM 0 HB2 LYS A 57 -9.045 -24.571 7.917 1.00 53.21 H new ATOM 0 HB3 LYS A 57 -7.475 -24.440 8.685 1.00 53.21 H new ATOM 0 HG2 LYS A 57 -9.263 -23.721 10.716 1.00 73.14 H new ATOM 0 HG3 LYS A 57 -10.093 -25.012 9.869 1.00 73.14 H new ATOM 0 HD2 LYS A 57 -8.781 -26.099 11.530 1.00 40.41 H new ATOM 0 HD3 LYS A 57 -7.924 -26.362 10.024 1.00 40.41 H new ATOM 0 HE2 LYS A 57 -6.112 -25.201 10.727 1.00 23.44 H new ATOM 0 HE3 LYS A 57 -7.088 -23.861 11.296 1.00 23.44 H new ATOM 0 HZ1 LYS A 57 -5.875 -24.934 13.098 1.00 72.23 H new ATOM 0 HZ2 LYS A 57 -7.551 -25.077 13.331 1.00 72.23 H new ATOM 0 HZ3 LYS A 57 -6.654 -26.408 12.778 1.00 72.23 H new ATOM 796 N CYS A 58 -10.212 -20.817 8.558 1.00 23.14 N ATOM 797 CA CYS A 58 -11.546 -20.245 8.422 1.00 14.44 C ATOM 798 C CYS A 58 -11.470 -18.787 7.981 1.00 52.33 C ATOM 799 O CYS A 58 -11.967 -18.424 6.914 1.00 4.03 O ATOM 800 CB CYS A 58 -12.307 -20.350 9.745 1.00 25.32 C ATOM 801 SG CYS A 58 -12.698 -22.045 10.238 1.00 24.35 S ATOM 0 H CYS A 58 -9.484 -20.140 8.785 1.00 23.14 H new ATOM 0 HA CYS A 58 -12.080 -20.810 7.658 1.00 14.44 H new ATOM 0 HB2 CYS A 58 -11.714 -19.882 10.531 1.00 25.32 H new ATOM 0 HB3 CYS A 58 -13.235 -19.783 9.664 1.00 25.32 H new ATOM 0 HG CYS A 58 -12.113 -22.878 9.430 1.00 24.35 H new ATOM 807 N SER A 59 -10.847 -17.955 8.809 1.00 43.31 N ATOM 808 CA SER A 59 -10.710 -16.535 8.506 1.00 14.35 C ATOM 809 C SER A 59 -9.397 -15.986 9.055 1.00 22.12 C ATOM 810 O SER A 59 -9.067 -16.189 10.224 1.00 0.35 O ATOM 811 CB SER A 59 -11.887 -15.752 9.092 1.00 53.33 C ATOM 812 OG SER A 59 -12.820 -16.620 9.710 1.00 35.34 O ATOM 0 H SER A 59 -10.429 -18.239 9.695 1.00 43.31 H new ATOM 0 HA SER A 59 -10.707 -16.419 7.422 1.00 14.35 H new ATOM 0 HB2 SER A 59 -11.520 -15.029 9.821 1.00 53.33 H new ATOM 0 HB3 SER A 59 -12.380 -15.186 8.302 1.00 53.33 H new ATOM 0 HG SER A 59 -13.561 -16.095 10.078 1.00 35.34 H new ATOM 818 N CYS A 60 -8.652 -15.291 8.203 1.00 25.21 N ATOM 819 CA CYS A 60 -7.373 -14.713 8.601 1.00 23.20 C ATOM 820 C CYS A 60 -7.576 -13.376 9.306 1.00 72.02 C ATOM 821 O CYS A 60 -8.423 -12.575 8.909 1.00 1.41 O ATOM 822 CB CYS A 60 -6.471 -14.528 7.380 1.00 52.23 C ATOM 823 SG CYS A 60 -7.027 -13.239 6.240 1.00 14.44 S ATOM 0 H CYS A 60 -8.911 -15.114 7.232 1.00 25.21 H new ATOM 0 HA CYS A 60 -6.893 -15.401 9.297 1.00 23.20 H new ATOM 0 HB2 CYS A 60 -5.463 -14.288 7.719 1.00 52.23 H new ATOM 0 HB3 CYS A 60 -6.409 -15.473 6.841 1.00 52.23 H new ATOM 0 HG CYS A 60 -7.817 -12.418 6.866 1.00 14.44 H new ATOM 829 N THR A 61 -6.795 -13.141 10.356 1.00 60.33 N ATOM 830 CA THR A 61 -6.891 -11.903 11.118 1.00 0.10 C ATOM 831 C THR A 61 -5.509 -11.333 11.417 1.00 12.03 C ATOM 832 O THR A 61 -4.533 -12.074 11.530 1.00 40.31 O ATOM 833 CB THR A 61 -7.644 -12.117 12.445 1.00 41.13 C ATOM 834 OG1 THR A 61 -7.130 -13.271 13.119 1.00 74.12 O ATOM 835 CG2 THR A 61 -9.135 -12.289 12.199 1.00 53.51 C ATOM 0 H THR A 61 -6.089 -13.793 10.698 1.00 60.33 H new ATOM 0 HA THR A 61 -7.447 -11.196 10.503 1.00 0.10 H new ATOM 0 HB THR A 61 -7.494 -11.236 13.069 1.00 41.13 H new ATOM 0 HG1 THR A 61 -7.320 -14.072 12.587 1.00 74.12 H new ATOM 0 HG21 THR A 61 -9.646 -12.439 13.150 1.00 53.51 H new ATOM 0 HG22 THR A 61 -9.529 -11.397 11.712 1.00 53.51 H new ATOM 0 HG23 THR A 61 -9.301 -13.155 11.558 1.00 53.51 H new ATOM 843 N ALA A 62 -5.434 -10.012 11.546 1.00 70.32 N ATOM 844 CA ALA A 62 -4.172 -9.344 11.835 1.00 44.41 C ATOM 845 C ALA A 62 -3.977 -9.163 13.337 1.00 73.14 C ATOM 846 O ALA A 62 -4.753 -8.467 13.993 1.00 63.11 O ATOM 847 CB ALA A 62 -4.113 -7.998 11.128 1.00 52.33 C ATOM 0 H ALA A 62 -6.233 -9.384 11.455 1.00 70.32 H new ATOM 0 HA ALA A 62 -3.364 -9.974 11.463 1.00 44.41 H new ATOM 0 HB1 ALA A 62 -3.165 -7.510 11.353 1.00 52.33 H new ATOM 0 HB2 ALA A 62 -4.197 -8.148 10.052 1.00 52.33 H new ATOM 0 HB3 ALA A 62 -4.935 -7.370 11.472 1.00 52.33 H new ATOM 853 N ILE A 63 -2.939 -9.794 13.874 1.00 30.42 N ATOM 854 CA ILE A 63 -2.644 -9.702 15.299 1.00 63.44 C ATOM 855 C ILE A 63 -1.140 -9.639 15.545 1.00 12.23 C ATOM 856 O ILE A 63 -0.333 -10.094 14.735 1.00 52.14 O ATOM 857 CB ILE A 63 -3.230 -10.898 16.073 1.00 5.32 C ATOM 858 CG1 ILE A 63 -3.695 -11.984 15.102 1.00 62.42 C ATOM 859 CG2 ILE A 63 -4.380 -10.443 16.958 1.00 13.42 C ATOM 860 CD1 ILE A 63 -5.104 -11.777 14.593 1.00 33.13 C ATOM 0 H ILE A 63 -2.288 -10.374 13.345 1.00 30.42 H new ATOM 0 HA ILE A 63 -3.108 -8.784 15.660 1.00 63.44 H new ATOM 0 HB ILE A 63 -2.451 -11.317 16.710 1.00 5.32 H new ATOM 0 HG12 ILE A 63 -3.012 -12.018 14.253 1.00 62.42 H new ATOM 0 HG13 ILE A 63 -3.635 -12.953 15.598 1.00 62.42 H new ATOM 0 HG21 ILE A 63 -4.784 -11.299 17.499 1.00 13.42 H new ATOM 0 HG22 ILE A 63 -4.019 -9.701 17.671 1.00 13.42 H new ATOM 0 HG23 ILE A 63 -5.162 -10.002 16.340 1.00 13.42 H new ATOM 0 HD11 ILE A 63 -5.366 -12.585 13.910 1.00 33.13 H new ATOM 0 HD12 ILE A 63 -5.798 -11.773 15.434 1.00 33.13 H new ATOM 0 HD13 ILE A 63 -5.165 -10.824 14.068 1.00 33.13 H new ATOM 872 N PRO A 64 -0.753 -9.062 16.693 1.00 61.13 N ATOM 873 CA PRO A 64 0.656 -8.927 17.075 1.00 70.33 C ATOM 874 C PRO A 64 1.294 -10.269 17.419 1.00 1.42 C ATOM 875 O PRO A 64 0.754 -11.326 17.091 1.00 5.01 O ATOM 876 CB PRO A 64 0.604 -8.027 18.311 1.00 14.43 C ATOM 877 CG PRO A 64 -0.756 -8.243 18.880 1.00 53.21 C ATOM 878 CD PRO A 64 -1.660 -8.498 17.706 1.00 54.12 C ATOM 0 HA PRO A 64 1.262 -8.524 16.263 1.00 70.33 H new ATOM 0 HB2 PRO A 64 1.380 -8.294 19.028 1.00 14.43 H new ATOM 0 HB3 PRO A 64 0.761 -6.981 18.046 1.00 14.43 H new ATOM 0 HG2 PRO A 64 -0.762 -9.089 19.568 1.00 53.21 H new ATOM 0 HG3 PRO A 64 -1.086 -7.371 19.444 1.00 53.21 H new ATOM 0 HD2 PRO A 64 -2.461 -9.192 17.959 1.00 54.12 H new ATOM 0 HD3 PRO A 64 -2.132 -7.580 17.356 1.00 54.12 H new ATOM 886 N CYS A 65 2.444 -10.218 18.082 1.00 21.41 N ATOM 887 CA CYS A 65 3.156 -11.431 18.471 1.00 1.40 C ATOM 888 C CYS A 65 2.189 -12.479 19.011 1.00 63.41 C ATOM 889 O CYS A 65 1.776 -12.420 20.168 1.00 10.40 O ATOM 890 CB CYS A 65 4.218 -11.108 19.524 1.00 75.03 C ATOM 891 SG CYS A 65 4.696 -12.520 20.547 1.00 74.12 S ATOM 0 H CYS A 65 2.903 -9.351 18.361 1.00 21.41 H new ATOM 0 HA CYS A 65 3.645 -11.836 17.585 1.00 1.40 H new ATOM 0 HB2 CYS A 65 5.105 -10.719 19.023 1.00 75.03 H new ATOM 0 HB3 CYS A 65 3.844 -10.315 20.171 1.00 75.03 H new ATOM 0 HG CYS A 65 5.351 -13.379 19.823 1.00 74.12 H new ATOM 897 N ASN A 66 1.832 -13.439 18.163 1.00 14.15 N ATOM 898 CA ASN A 66 0.911 -14.500 18.555 1.00 61.21 C ATOM 899 C ASN A 66 1.407 -15.215 19.808 1.00 32.41 C ATOM 900 O ASN A 66 0.624 -15.822 20.538 1.00 21.42 O ATOM 901 CB ASN A 66 0.743 -15.505 17.413 1.00 3.03 C ATOM 902 CG ASN A 66 2.065 -16.099 16.967 1.00 22.10 C ATOM 903 OD1 ASN A 66 2.831 -15.330 16.201 1.00 1.43 O flip ATOM 904 ND2 ASN A 66 2.394 -17.236 17.307 1.00 34.41 N flip ATOM 0 H ASN A 66 2.166 -13.504 17.201 1.00 14.15 H new ATOM 0 HA ASN A 66 -0.055 -14.046 18.776 1.00 61.21 H new ATOM 0 HB2 ASN A 66 0.077 -16.306 17.733 1.00 3.03 H new ATOM 0 HB3 ASN A 66 0.265 -15.012 16.566 1.00 3.03 H new ATOM 0 HD21 ASN A 66 1.774 -17.791 17.896 1.00 34.41 H new ATOM 0 HD22 ASN A 66 3.286 -17.622 16.999 1.00 34.41 H new ATOM 911 N GLU A 67 2.712 -15.138 20.050 1.00 73.10 N ATOM 912 CA GLU A 67 3.311 -15.779 21.215 1.00 42.52 C ATOM 913 C GLU A 67 3.385 -14.809 22.391 1.00 44.22 C ATOM 914 O GLU A 67 4.265 -14.918 23.245 1.00 64.32 O ATOM 915 CB GLU A 67 4.711 -16.295 20.876 1.00 21.14 C ATOM 916 CG GLU A 67 4.711 -17.454 19.894 1.00 22.42 C ATOM 917 CD GLU A 67 5.548 -17.174 18.661 1.00 24.33 C ATOM 918 OE1 GLU A 67 5.175 -17.654 17.570 1.00 2.11 O ATOM 919 OE2 GLU A 67 6.576 -16.476 18.787 1.00 21.42 O ATOM 0 H GLU A 67 3.374 -14.639 19.456 1.00 73.10 H new ATOM 0 HA GLU A 67 2.680 -16.621 21.500 1.00 42.52 H new ATOM 0 HB2 GLU A 67 5.300 -15.477 20.460 1.00 21.14 H new ATOM 0 HB3 GLU A 67 5.206 -16.609 21.795 1.00 21.14 H new ATOM 0 HG2 GLU A 67 5.091 -18.347 20.391 1.00 22.42 H new ATOM 0 HG3 GLU A 67 3.686 -17.669 19.592 1.00 22.42 H new ATOM 926 N ASP A 68 2.456 -13.860 22.427 1.00 21.31 N ATOM 927 CA ASP A 68 2.415 -12.871 23.498 1.00 51.13 C ATOM 928 C ASP A 68 3.419 -13.214 24.594 1.00 72.22 C ATOM 929 O ASP A 68 3.042 -13.661 25.678 1.00 52.12 O ATOM 930 CB ASP A 68 1.006 -12.785 24.088 1.00 44.04 C ATOM 931 CG ASP A 68 -0.069 -13.100 23.067 1.00 52.35 C ATOM 932 OD1 ASP A 68 -0.655 -12.148 22.509 1.00 43.15 O ATOM 933 OD2 ASP A 68 -0.325 -14.298 22.825 1.00 42.32 O ATOM 0 H ASP A 68 1.721 -13.755 21.727 1.00 21.31 H new ATOM 0 HA ASP A 68 2.683 -11.903 23.075 1.00 51.13 H new ATOM 0 HB2 ASP A 68 0.923 -13.478 24.925 1.00 44.04 H new ATOM 0 HB3 ASP A 68 0.842 -11.784 24.486 1.00 44.04 H new ATOM 938 N HIS A 69 4.699 -13.004 24.304 1.00 51.40 N ATOM 939 CA HIS A 69 5.758 -13.291 25.265 1.00 33.31 C ATOM 940 C HIS A 69 6.650 -12.071 25.472 1.00 71.11 C ATOM 941 O HIS A 69 6.742 -11.188 24.620 1.00 50.55 O ATOM 942 CB HIS A 69 6.598 -14.477 24.790 1.00 32.34 C ATOM 943 CG HIS A 69 7.309 -14.228 23.496 1.00 12.20 C ATOM 944 ND1 HIS A 69 6.650 -14.054 22.297 1.00 24.00 N ATOM 945 CD2 HIS A 69 8.629 -14.121 23.217 1.00 21.54 C ATOM 946 CE1 HIS A 69 7.535 -13.853 21.337 1.00 71.44 C ATOM 947 NE2 HIS A 69 8.743 -13.889 21.869 1.00 63.12 N ATOM 0 H HIS A 69 5.028 -12.636 23.411 1.00 51.40 H new ATOM 0 HA HIS A 69 5.292 -13.543 26.217 1.00 33.31 H new ATOM 0 HB2 HIS A 69 7.333 -14.722 25.557 1.00 32.34 H new ATOM 0 HB3 HIS A 69 5.952 -15.348 24.678 1.00 32.34 H new ATOM 0 HD1 HIS A 69 5.638 -14.077 22.171 1.00 24.00 H new ATOM 0 HD2 HIS A 69 9.442 -14.203 23.924 1.00 21.54 H new ATOM 0 HE1 HIS A 69 7.309 -13.687 20.294 1.00 71.44 H new ATOM 955 N PRO A 70 7.323 -12.019 26.631 1.00 12.01 N ATOM 956 CA PRO A 70 8.219 -10.912 26.977 1.00 42.21 C ATOM 957 C PRO A 70 9.486 -10.905 26.128 1.00 1.02 C ATOM 958 O PRO A 70 10.453 -11.604 26.434 1.00 71.24 O ATOM 959 CB PRO A 70 8.561 -11.177 28.445 1.00 33.32 C ATOM 960 CG PRO A 70 8.382 -12.646 28.616 1.00 34.42 C ATOM 961 CD PRO A 70 7.261 -13.037 27.693 1.00 33.11 C ATOM 0 HA PRO A 70 7.754 -9.942 26.802 1.00 42.21 H new ATOM 0 HB2 PRO A 70 9.582 -10.873 28.675 1.00 33.32 H new ATOM 0 HB3 PRO A 70 7.905 -10.618 29.112 1.00 33.32 H new ATOM 0 HG2 PRO A 70 9.298 -13.182 28.367 1.00 34.42 H new ATOM 0 HG3 PRO A 70 8.140 -12.892 29.650 1.00 34.42 H new ATOM 0 HD2 PRO A 70 7.400 -14.042 27.295 1.00 33.11 H new ATOM 0 HD3 PRO A 70 6.298 -13.027 28.204 1.00 33.11 H new ATOM 969 N CYS A 71 9.475 -10.111 25.063 1.00 34.41 N ATOM 970 CA CYS A 71 10.624 -10.014 24.170 1.00 75.03 C ATOM 971 C CYS A 71 10.791 -8.589 23.653 1.00 41.11 C ATOM 972 O CYS A 71 9.843 -7.804 23.648 1.00 54.54 O ATOM 973 CB CYS A 71 10.466 -10.980 22.995 1.00 74.32 C ATOM 974 SG CYS A 71 11.550 -12.425 23.077 1.00 74.15 S ATOM 0 H CYS A 71 8.683 -9.525 24.797 1.00 34.41 H new ATOM 0 HA CYS A 71 11.516 -10.284 24.735 1.00 75.03 H new ATOM 0 HB2 CYS A 71 9.431 -11.318 22.953 1.00 74.32 H new ATOM 0 HB3 CYS A 71 10.664 -10.443 22.068 1.00 74.32 H new ATOM 0 HG CYS A 71 11.669 -12.809 24.313 1.00 74.15 H new ATOM 980 N HIS A 72 12.004 -8.261 23.220 1.00 4.32 N ATOM 981 CA HIS A 72 12.297 -6.929 22.702 1.00 10.11 C ATOM 982 C HIS A 72 11.889 -6.814 21.236 1.00 33.35 C ATOM 983 O HIS A 72 12.717 -6.530 20.371 1.00 63.21 O ATOM 984 CB HIS A 72 13.786 -6.615 22.855 1.00 55.10 C ATOM 985 CG HIS A 72 14.285 -6.750 24.261 1.00 52.44 C ATOM 986 ND1 HIS A 72 13.456 -6.704 25.361 1.00 13.24 N ATOM 987 CD2 HIS A 72 15.537 -6.931 24.742 1.00 72.53 C ATOM 988 CE1 HIS A 72 14.176 -6.850 26.459 1.00 42.01 C ATOM 989 NE2 HIS A 72 15.442 -6.990 26.110 1.00 25.54 N ATOM 0 H HIS A 72 12.800 -8.899 23.217 1.00 4.32 H new ATOM 0 HA HIS A 72 11.720 -6.207 23.279 1.00 10.11 H new ATOM 0 HB2 HIS A 72 14.358 -7.282 22.210 1.00 55.10 H new ATOM 0 HB3 HIS A 72 13.972 -5.599 22.508 1.00 55.10 H new ATOM 0 HD2 HIS A 72 16.442 -7.014 24.158 1.00 72.53 H new ATOM 0 HE1 HIS A 72 13.794 -6.854 27.469 1.00 42.01 H new ATOM 0 HE2 HIS A 72 16.223 -7.121 26.753 1.00 25.54 H new ATOM 997 N HIS A 73 10.607 -7.038 20.965 1.00 12.00 N ATOM 998 CA HIS A 73 10.089 -6.960 19.604 1.00 53.13 C ATOM 999 C HIS A 73 8.608 -6.590 19.606 1.00 25.12 C ATOM 1000 O HIS A 73 7.989 -6.477 20.665 1.00 51.55 O ATOM 1001 CB HIS A 73 10.292 -8.292 18.881 1.00 44.31 C ATOM 1002 CG HIS A 73 9.679 -9.459 19.591 1.00 12.22 C ATOM 1003 ND1 HIS A 73 8.544 -9.355 20.368 1.00 61.31 N ATOM 1004 CD2 HIS A 73 10.047 -10.760 19.638 1.00 64.42 C ATOM 1005 CE1 HIS A 73 8.242 -10.542 20.863 1.00 63.42 C ATOM 1006 NE2 HIS A 73 9.139 -11.413 20.435 1.00 52.45 N ATOM 0 H HIS A 73 9.908 -7.275 21.669 1.00 12.00 H new ATOM 0 HA HIS A 73 10.640 -6.181 19.077 1.00 53.13 H new ATOM 0 HB2 HIS A 73 9.866 -8.221 17.880 1.00 44.31 H new ATOM 0 HB3 HIS A 73 11.360 -8.471 18.760 1.00 44.31 H new ATOM 0 HD2 HIS A 73 10.897 -11.203 19.141 1.00 64.42 H new ATOM 0 HE1 HIS A 73 7.404 -10.763 21.508 1.00 63.42 H new ATOM 0 HE2 HIS A 73 9.154 -12.408 20.660 1.00 52.45 H new ATOM 1014 N CYS A 74 8.049 -6.403 18.416 1.00 13.12 N ATOM 1015 CA CYS A 74 6.641 -6.044 18.281 1.00 23.13 C ATOM 1016 C CYS A 74 5.893 -6.277 19.590 1.00 40.32 C ATOM 1017 O CYS A 74 5.618 -7.417 19.966 1.00 50.41 O ATOM 1018 CB CYS A 74 5.993 -6.854 17.158 1.00 55.02 C ATOM 1019 SG CYS A 74 4.283 -6.386 16.803 1.00 55.21 S ATOM 0 H CYS A 74 8.548 -6.494 17.531 1.00 13.12 H new ATOM 0 HA CYS A 74 6.583 -4.984 18.034 1.00 23.13 H new ATOM 0 HB2 CYS A 74 6.586 -6.737 16.251 1.00 55.02 H new ATOM 0 HB3 CYS A 74 6.022 -7.911 17.424 1.00 55.02 H new ATOM 0 HG CYS A 74 3.539 -7.451 16.775 1.00 55.21 H new ATOM 1025 N HIS A 75 5.568 -5.189 20.281 1.00 55.21 N ATOM 1026 CA HIS A 75 4.852 -5.274 21.549 1.00 72.21 C ATOM 1027 C HIS A 75 3.788 -6.367 21.500 1.00 50.23 C ATOM 1028 O HIS A 75 3.311 -6.732 20.426 1.00 35.42 O ATOM 1029 CB HIS A 75 4.204 -3.930 21.885 1.00 62.52 C ATOM 1030 CG HIS A 75 2.708 -3.958 21.834 1.00 14.44 C ATOM 1031 ND1 HIS A 75 1.796 -4.288 22.779 1.00 21.24 N flip ATOM 1032 CD2 HIS A 75 1.986 -3.618 20.709 1.00 71.13 C flip ATOM 1033 CE1 HIS A 75 0.553 -4.143 22.213 1.00 24.14 C flip ATOM 1034 NE2 HIS A 75 0.695 -3.737 20.964 1.00 10.33 N flip ATOM 0 H HIS A 75 5.789 -4.238 19.984 1.00 55.21 H new ATOM 0 HA HIS A 75 5.572 -5.526 22.328 1.00 72.21 H new ATOM 0 HB2 HIS A 75 4.520 -3.623 22.882 1.00 62.52 H new ATOM 0 HB3 HIS A 75 4.569 -3.175 21.188 1.00 62.52 H new ATOM 0 HD2 HIS A 75 2.410 -3.304 19.767 1.00 71.13 H new ATOM 0 HE1 HIS A 75 -0.388 -4.331 22.709 1.00 24.14 H new ATOM 0 HE2 HIS A 75 -0.063 -3.548 20.308 1.00 10.33 H new ATOM 1042 N GLU A 76 3.423 -6.884 22.669 1.00 52.32 N ATOM 1043 CA GLU A 76 2.417 -7.936 22.757 1.00 12.44 C ATOM 1044 C GLU A 76 1.824 -8.004 24.162 1.00 73.33 C ATOM 1045 O GLU A 76 2.418 -8.586 25.069 1.00 55.20 O ATOM 1046 CB GLU A 76 3.027 -9.288 22.383 1.00 74.03 C ATOM 1047 CG GLU A 76 4.544 -9.312 22.455 1.00 61.44 C ATOM 1048 CD GLU A 76 5.068 -8.990 23.841 1.00 73.12 C ATOM 1049 OE1 GLU A 76 4.685 -9.696 24.798 1.00 53.43 O ATOM 1050 OE2 GLU A 76 5.859 -8.033 23.969 1.00 64.20 O ATOM 0 H GLU A 76 3.808 -6.592 23.567 1.00 52.32 H new ATOM 0 HA GLU A 76 1.618 -7.700 22.054 1.00 12.44 H new ATOM 0 HB2 GLU A 76 2.628 -10.054 23.048 1.00 74.03 H new ATOM 0 HB3 GLU A 76 2.715 -9.550 21.372 1.00 74.03 H new ATOM 0 HG2 GLU A 76 4.903 -10.297 22.155 1.00 61.44 H new ATOM 0 HG3 GLU A 76 4.949 -8.594 21.742 1.00 61.44 H new ATOM 1057 N GLU A 77 0.649 -7.406 24.332 1.00 50.54 N ATOM 1058 CA GLU A 77 -0.024 -7.398 25.625 1.00 4.44 C ATOM 1059 C GLU A 77 0.287 -8.670 26.408 1.00 70.52 C ATOM 1060 O GLU A 77 -0.568 -9.544 26.558 1.00 42.40 O ATOM 1061 CB GLU A 77 -1.536 -7.257 25.438 1.00 23.12 C ATOM 1062 CG GLU A 77 -1.931 -6.125 24.505 1.00 1.10 C ATOM 1063 CD GLU A 77 -2.256 -6.609 23.105 1.00 22.13 C ATOM 1064 OE1 GLU A 77 -3.212 -7.399 22.958 1.00 13.35 O ATOM 1065 OE2 GLU A 77 -1.554 -6.199 22.157 1.00 32.22 O ATOM 0 H GLU A 77 0.144 -6.921 23.590 1.00 50.54 H new ATOM 0 HA GLU A 77 0.345 -6.544 26.192 1.00 4.44 H new ATOM 0 HB2 GLU A 77 -1.934 -8.194 25.048 1.00 23.12 H new ATOM 0 HB3 GLU A 77 -2.000 -7.094 26.411 1.00 23.12 H new ATOM 0 HG2 GLU A 77 -2.797 -5.606 24.916 1.00 1.10 H new ATOM 0 HG3 GLU A 77 -1.119 -5.400 24.455 1.00 1.10 H new ATOM 1072 N ASP A 78 1.516 -8.768 26.903 1.00 34.12 N ATOM 1073 CA ASP A 78 1.940 -9.933 27.671 1.00 62.24 C ATOM 1074 C ASP A 78 3.249 -9.654 28.403 1.00 30.10 C ATOM 1075 O ASP A 78 3.389 -9.966 29.586 1.00 72.13 O ATOM 1076 CB ASP A 78 2.104 -11.144 26.751 1.00 63.21 C ATOM 1077 CG ASP A 78 1.115 -12.249 27.066 1.00 51.20 C ATOM 1078 OD1 ASP A 78 -0.065 -12.117 26.679 1.00 73.04 O ATOM 1079 OD2 ASP A 78 1.521 -13.245 27.699 1.00 32.51 O ATOM 0 H ASP A 78 2.236 -8.055 26.786 1.00 34.12 H new ATOM 0 HA ASP A 78 1.170 -10.150 28.411 1.00 62.24 H new ATOM 0 HB2 ASP A 78 1.975 -10.830 25.715 1.00 63.21 H new ATOM 0 HB3 ASP A 78 3.119 -11.532 26.843 1.00 63.21 H new ATOM 1084 N ASP A 79 4.205 -9.066 27.692 1.00 13.22 N ATOM 1085 CA ASP A 79 5.503 -8.745 28.274 1.00 14.54 C ATOM 1086 C ASP A 79 5.342 -8.184 29.684 1.00 21.11 C ATOM 1087 O ASP A 79 4.606 -7.223 29.901 1.00 54.11 O ATOM 1088 CB ASP A 79 6.245 -7.739 27.394 1.00 45.52 C ATOM 1089 CG ASP A 79 5.329 -6.665 26.841 1.00 75.55 C ATOM 1090 OD1 ASP A 79 5.616 -6.149 25.740 1.00 14.43 O ATOM 1091 OD2 ASP A 79 4.323 -6.343 27.507 1.00 23.13 O ATOM 0 H ASP A 79 4.105 -8.802 26.712 1.00 13.22 H new ATOM 0 HA ASP A 79 6.085 -9.665 28.332 1.00 14.54 H new ATOM 0 HB2 ASP A 79 7.040 -7.271 27.974 1.00 45.52 H new ATOM 0 HB3 ASP A 79 6.722 -8.266 26.568 1.00 45.52 H new ATOM 1096 N GLY A 80 6.037 -8.793 30.641 1.00 73.35 N ATOM 1097 CA GLY A 80 5.956 -8.342 32.018 1.00 64.25 C ATOM 1098 C GLY A 80 5.386 -9.399 32.942 1.00 74.54 C ATOM 1099 O GLY A 80 4.635 -10.274 32.507 1.00 1.54 O ATOM 0 H GLY A 80 6.654 -9.590 30.487 1.00 73.35 H new ATOM 0 HA2 GLY A 80 6.951 -8.060 32.364 1.00 64.25 H new ATOM 0 HA3 GLY A 80 5.335 -7.447 32.068 1.00 64.25 H new ATOM 1103 N ASP A 81 5.743 -9.322 34.219 1.00 54.42 N ATOM 1104 CA ASP A 81 5.261 -10.280 35.207 1.00 3.00 C ATOM 1105 C ASP A 81 4.259 -9.627 36.154 1.00 72.23 C ATOM 1106 O ASP A 81 3.791 -8.514 35.910 1.00 24.20 O ATOM 1107 CB ASP A 81 6.433 -10.856 36.003 1.00 2.23 C ATOM 1108 CG ASP A 81 6.311 -12.352 36.213 1.00 32.33 C ATOM 1109 OD1 ASP A 81 5.853 -13.047 35.282 1.00 53.02 O ATOM 1110 OD2 ASP A 81 6.674 -12.829 37.309 1.00 51.13 O ATOM 0 H ASP A 81 6.365 -8.606 34.595 1.00 54.42 H new ATOM 0 HA ASP A 81 4.758 -11.089 34.677 1.00 3.00 H new ATOM 0 HB2 ASP A 81 7.365 -10.640 35.480 1.00 2.23 H new ATOM 0 HB3 ASP A 81 6.489 -10.360 36.972 1.00 2.23 H new ATOM 1115 N THR A 82 3.931 -10.328 37.235 1.00 1.52 N ATOM 1116 CA THR A 82 2.983 -9.818 38.217 1.00 14.24 C ATOM 1117 C THR A 82 3.261 -8.355 38.542 1.00 14.34 C ATOM 1118 O THR A 82 2.475 -7.471 38.197 1.00 20.40 O ATOM 1119 CB THR A 82 3.027 -10.639 39.520 1.00 3.31 C ATOM 1120 OG1 THR A 82 3.083 -12.037 39.216 1.00 11.14 O ATOM 1121 CG2 THR A 82 1.808 -10.350 40.383 1.00 25.25 C ATOM 0 H THR A 82 4.308 -11.250 37.452 1.00 1.52 H new ATOM 0 HA THR A 82 1.991 -9.907 37.774 1.00 14.24 H new ATOM 0 HB THR A 82 3.921 -10.352 40.075 1.00 3.31 H new ATOM 0 HG1 THR A 82 3.112 -12.552 40.049 1.00 11.14 H new ATOM 0 HG21 THR A 82 1.861 -10.941 41.297 1.00 25.25 H new ATOM 0 HG22 THR A 82 1.785 -9.290 40.637 1.00 25.25 H new ATOM 0 HG23 THR A 82 0.903 -10.611 39.834 1.00 25.25 H new ATOM 1129 N HIS A 83 4.384 -8.104 39.208 1.00 34.10 N ATOM 1130 CA HIS A 83 4.766 -6.746 39.579 1.00 71.15 C ATOM 1131 C HIS A 83 4.554 -5.785 38.413 1.00 54.21 C ATOM 1132 O HIS A 83 3.939 -4.729 38.570 1.00 21.15 O ATOM 1133 CB HIS A 83 6.228 -6.709 40.026 1.00 74.24 C ATOM 1134 CG HIS A 83 6.508 -7.559 41.226 1.00 23.14 C ATOM 1135 ND1 HIS A 83 5.515 -8.143 41.984 1.00 1.11 N ATOM 1136 CD2 HIS A 83 7.679 -7.924 41.799 1.00 45.05 C ATOM 1137 CE1 HIS A 83 6.063 -8.829 42.971 1.00 1.43 C ATOM 1138 NE2 HIS A 83 7.376 -8.712 42.881 1.00 33.40 N ATOM 0 H HIS A 83 5.045 -8.823 39.502 1.00 34.10 H new ATOM 0 HA HIS A 83 4.132 -6.430 40.408 1.00 71.15 H new ATOM 0 HB2 HIS A 83 6.860 -7.039 39.202 1.00 74.24 H new ATOM 0 HB3 HIS A 83 6.506 -5.679 40.248 1.00 74.24 H new ATOM 0 HD2 HIS A 83 8.668 -7.646 41.466 1.00 45.05 H new ATOM 0 HE1 HIS A 83 5.529 -9.390 43.723 1.00 1.43 H new ATOM 0 HE2 HIS A 83 8.054 -9.138 43.513 1.00 33.40 H new ATOM 1146 N CYS A 84 5.066 -6.157 37.245 1.00 1.52 N ATOM 1147 CA CYS A 84 4.934 -5.326 36.053 1.00 31.32 C ATOM 1148 C CYS A 84 3.479 -4.932 35.824 1.00 75.23 C ATOM 1149 O CYS A 84 3.183 -3.794 35.458 1.00 73.35 O ATOM 1150 CB CYS A 84 5.474 -6.066 34.829 1.00 72.35 C ATOM 1151 SG CYS A 84 7.276 -6.044 34.688 1.00 63.11 S ATOM 0 H CYS A 84 5.576 -7.028 37.098 1.00 1.52 H new ATOM 0 HA CYS A 84 5.517 -4.418 36.206 1.00 31.32 H new ATOM 0 HB2 CYS A 84 5.136 -7.102 34.866 1.00 72.35 H new ATOM 0 HB3 CYS A 84 5.045 -5.622 33.931 1.00 72.35 H new ATOM 0 HG CYS A 84 7.618 -6.304 33.461 1.00 63.11 H new ATOM 1157 N HIS A 85 2.573 -5.881 36.040 1.00 52.13 N ATOM 1158 CA HIS A 85 1.147 -5.633 35.855 1.00 23.24 C ATOM 1159 C HIS A 85 0.634 -4.627 36.881 1.00 54.13 C ATOM 1160 O HIS A 85 -0.263 -3.834 36.591 1.00 35.23 O ATOM 1161 CB HIS A 85 0.362 -6.940 35.969 1.00 61.34 C ATOM 1162 CG HIS A 85 0.622 -7.894 34.844 1.00 73.34 C ATOM 1163 ND1 HIS A 85 1.859 -8.042 34.252 1.00 34.03 N ATOM 1164 CD2 HIS A 85 -0.205 -8.753 34.203 1.00 70.41 C ATOM 1165 CE1 HIS A 85 1.781 -8.949 33.295 1.00 21.44 C ATOM 1166 NE2 HIS A 85 0.539 -9.397 33.245 1.00 24.01 N ATOM 0 H HIS A 85 2.801 -6.828 36.343 1.00 52.13 H new ATOM 0 HA HIS A 85 1.001 -5.216 34.858 1.00 23.24 H new ATOM 0 HB2 HIS A 85 0.615 -7.425 36.912 1.00 61.34 H new ATOM 0 HB3 HIS A 85 -0.703 -6.713 36.003 1.00 61.34 H new ATOM 0 HD1 HIS A 85 2.702 -7.531 34.513 1.00 34.03 H new ATOM 0 HD2 HIS A 85 -1.255 -8.904 34.407 1.00 70.41 H new ATOM 0 HE1 HIS A 85 2.594 -9.270 32.661 1.00 21.44 H new ATOM 1174 N CYS A 86 1.207 -4.665 38.078 1.00 30.23 N ATOM 1175 CA CYS A 86 0.806 -3.758 39.147 1.00 11.54 C ATOM 1176 C CYS A 86 1.338 -2.351 38.895 1.00 42.24 C ATOM 1177 O CYS A 86 0.709 -1.361 39.269 1.00 31.42 O ATOM 1178 CB CYS A 86 1.309 -4.272 40.497 1.00 44.41 C ATOM 1179 SG CYS A 86 0.372 -5.674 41.149 1.00 44.12 S ATOM 0 H CYS A 86 1.951 -5.314 38.333 1.00 30.23 H new ATOM 0 HA CYS A 86 -0.283 -3.717 39.165 1.00 11.54 H new ATOM 0 HB2 CYS A 86 2.355 -4.563 40.396 1.00 44.41 H new ATOM 0 HB3 CYS A 86 1.273 -3.457 41.220 1.00 44.41 H new ATOM 0 HG CYS A 86 0.874 -6.038 42.292 1.00 44.12 H new ATOM 1185 N SER A 87 2.502 -2.270 38.258 1.00 4.33 N ATOM 1186 CA SER A 87 3.123 -0.984 37.960 1.00 33.13 C ATOM 1187 C SER A 87 2.469 -0.335 36.744 1.00 4.41 C ATOM 1188 O SER A 87 2.506 0.886 36.584 1.00 40.01 O ATOM 1189 CB SER A 87 4.622 -1.162 37.714 1.00 60.44 C ATOM 1190 OG SER A 87 5.262 -1.726 38.846 1.00 74.14 O ATOM 0 H SER A 87 3.034 -3.079 37.938 1.00 4.33 H new ATOM 0 HA SER A 87 2.979 -0.330 38.820 1.00 33.13 H new ATOM 0 HB2 SER A 87 4.778 -1.804 36.847 1.00 60.44 H new ATOM 0 HB3 SER A 87 5.072 -0.197 37.481 1.00 60.44 H new ATOM 0 HG SER A 87 4.962 -2.652 38.964 1.00 74.14 H new ATOM 1196 N CYS A 88 1.873 -1.159 35.890 1.00 13.14 N ATOM 1197 CA CYS A 88 1.211 -0.666 34.687 1.00 22.33 C ATOM 1198 C CYS A 88 -0.182 -0.136 35.011 1.00 4.31 C ATOM 1199 O CYS A 88 -0.616 0.873 34.457 1.00 43.33 O ATOM 1200 CB CYS A 88 1.116 -1.778 33.641 1.00 44.40 C ATOM 1201 SG CYS A 88 2.683 -2.155 32.821 1.00 50.13 S ATOM 0 H CYS A 88 1.834 -2.171 36.008 1.00 13.14 H new ATOM 0 HA CYS A 88 1.807 0.153 34.284 1.00 22.33 H new ATOM 0 HB2 CYS A 88 0.742 -2.683 34.121 1.00 44.40 H new ATOM 0 HB3 CYS A 88 0.383 -1.491 32.887 1.00 44.40 H new ATOM 0 HG CYS A 88 3.391 -2.940 33.578 1.00 50.13 H new ATOM 1207 N GLU A 89 -0.877 -0.824 35.911 1.00 30.11 N ATOM 1208 CA GLU A 89 -2.222 -0.423 36.306 1.00 10.31 C ATOM 1209 C GLU A 89 -2.199 0.923 37.025 1.00 30.15 C ATOM 1210 O GLU A 89 -3.142 1.708 36.927 1.00 53.51 O ATOM 1211 CB GLU A 89 -2.851 -1.486 37.209 1.00 2.45 C ATOM 1212 CG GLU A 89 -4.330 -1.711 36.945 1.00 30.25 C ATOM 1213 CD GLU A 89 -4.901 -2.852 37.764 1.00 34.42 C ATOM 1214 OE1 GLU A 89 -4.420 -3.994 37.607 1.00 44.11 O ATOM 1215 OE2 GLU A 89 -5.830 -2.605 38.562 1.00 42.44 O ATOM 0 H GLU A 89 -0.531 -1.661 36.380 1.00 30.11 H new ATOM 0 HA GLU A 89 -2.824 -0.323 35.403 1.00 10.31 H new ATOM 0 HB2 GLU A 89 -2.319 -2.427 37.073 1.00 2.45 H new ATOM 0 HB3 GLU A 89 -2.717 -1.192 38.250 1.00 2.45 H new ATOM 0 HG2 GLU A 89 -4.879 -0.797 37.170 1.00 30.25 H new ATOM 0 HG3 GLU A 89 -4.479 -1.919 35.885 1.00 30.25 H new ATOM 1222 N HIS A 90 -1.115 1.182 37.750 1.00 62.32 N ATOM 1223 CA HIS A 90 -0.968 2.432 38.486 1.00 0.03 C ATOM 1224 C HIS A 90 -0.245 3.478 37.643 1.00 73.14 C ATOM 1225 O HIS A 90 -0.443 4.679 37.823 1.00 50.43 O ATOM 1226 CB HIS A 90 -0.204 2.194 39.789 1.00 10.32 C ATOM 1227 CG HIS A 90 -0.890 1.243 40.721 1.00 52.41 C ATOM 1228 ND1 HIS A 90 -1.350 0.004 40.328 1.00 40.35 N ATOM 1229 CD2 HIS A 90 -1.192 1.355 42.036 1.00 54.14 C ATOM 1230 CE1 HIS A 90 -1.907 -0.604 41.359 1.00 21.24 C ATOM 1231 NE2 HIS A 90 -1.824 0.194 42.408 1.00 1.14 N ATOM 0 H HIS A 90 -0.326 0.543 37.843 1.00 62.32 H new ATOM 0 HA HIS A 90 -1.965 2.806 38.720 1.00 0.03 H new ATOM 0 HB2 HIS A 90 0.788 1.807 39.554 1.00 10.32 H new ATOM 0 HB3 HIS A 90 -0.062 3.148 40.297 1.00 10.32 H new ATOM 0 HD2 HIS A 90 -0.976 2.200 42.673 1.00 54.14 H new ATOM 0 HE1 HIS A 90 -2.354 -1.587 41.347 1.00 21.24 H new ATOM 0 HE2 HIS A 90 -2.173 -0.018 43.343 1.00 1.14 H new ATOM 1239 N SER A 91 0.593 3.012 36.722 1.00 2.42 N ATOM 1240 CA SER A 91 1.349 3.908 35.854 1.00 72.40 C ATOM 1241 C SER A 91 0.483 4.405 34.701 1.00 54.31 C ATOM 1242 O SER A 91 0.608 5.550 34.264 1.00 14.03 O ATOM 1243 CB SER A 91 2.587 3.196 35.306 1.00 23.11 C ATOM 1244 OG SER A 91 3.292 4.025 34.398 1.00 22.14 O ATOM 0 H SER A 91 0.765 2.020 36.558 1.00 2.42 H new ATOM 0 HA SER A 91 1.664 4.767 36.446 1.00 72.40 H new ATOM 0 HB2 SER A 91 3.243 2.914 36.130 1.00 23.11 H new ATOM 0 HB3 SER A 91 2.289 2.275 34.806 1.00 23.11 H new ATOM 0 HG SER A 91 4.080 3.548 34.063 1.00 22.14 H new ATOM 1250 N HIS A 92 -0.397 3.537 34.212 1.00 65.44 N ATOM 1251 CA HIS A 92 -1.285 3.887 33.109 1.00 31.22 C ATOM 1252 C HIS A 92 -2.391 4.827 33.580 1.00 24.01 C ATOM 1253 O HIS A 92 -2.873 5.664 32.818 1.00 53.35 O ATOM 1254 CB HIS A 92 -1.898 2.626 32.499 1.00 25.55 C ATOM 1255 CG HIS A 92 -2.380 2.813 31.094 1.00 15.23 C ATOM 1256 ND1 HIS A 92 -1.801 2.189 30.010 1.00 73.03 N ATOM 1257 CD2 HIS A 92 -3.395 3.560 30.599 1.00 34.42 C ATOM 1258 CE1 HIS A 92 -2.438 2.545 28.908 1.00 21.41 C ATOM 1259 NE2 HIS A 92 -3.410 3.376 29.238 1.00 20.44 N ATOM 0 H HIS A 92 -0.514 2.586 34.562 1.00 65.44 H new ATOM 0 HA HIS A 92 -0.695 4.399 32.349 1.00 31.22 H new ATOM 0 HB2 HIS A 92 -1.157 1.827 32.517 1.00 25.55 H new ATOM 0 HB3 HIS A 92 -2.732 2.301 33.120 1.00 25.55 H new ATOM 0 HD2 HIS A 92 -4.068 4.184 31.168 1.00 34.42 H new ATOM 0 HE1 HIS A 92 -2.203 2.213 27.907 1.00 21.41 H new ATOM 0 HE2 HIS A 92 -4.065 3.810 28.588 1.00 20.44 H new ATOM 1267 N ASP A 93 -2.787 4.682 34.840 1.00 60.04 N ATOM 1268 CA ASP A 93 -3.835 5.518 35.412 1.00 14.33 C ATOM 1269 C ASP A 93 -3.342 6.948 35.612 1.00 70.04 C ATOM 1270 O ASP A 93 -4.128 7.896 35.592 1.00 32.45 O ATOM 1271 CB ASP A 93 -4.309 4.938 36.746 1.00 5.31 C ATOM 1272 CG ASP A 93 -5.179 3.710 36.567 1.00 25.32 C ATOM 1273 OD1 ASP A 93 -5.528 3.076 37.585 1.00 13.44 O ATOM 1274 OD2 ASP A 93 -5.510 3.382 35.409 1.00 74.10 O ATOM 0 H ASP A 93 -2.398 3.993 35.484 1.00 60.04 H new ATOM 0 HA ASP A 93 -4.672 5.536 34.714 1.00 14.33 H new ATOM 0 HB2 ASP A 93 -3.443 4.680 37.355 1.00 5.31 H new ATOM 0 HB3 ASP A 93 -4.867 5.699 37.292 1.00 5.31 H new ATOM 1279 N HIS A 94 -2.035 7.096 35.804 1.00 51.21 N ATOM 1280 CA HIS A 94 -1.437 8.411 36.007 1.00 25.35 C ATOM 1281 C HIS A 94 -0.855 8.950 34.704 1.00 4.34 C ATOM 1282 O HIS A 94 -0.685 10.159 34.542 1.00 2.20 O ATOM 1283 CB HIS A 94 -0.345 8.337 37.075 1.00 2.44 C ATOM 1284 CG HIS A 94 -0.869 8.432 38.475 1.00 1.12 C ATOM 1285 ND1 HIS A 94 -0.601 7.489 39.445 1.00 71.45 N ATOM 1286 CD2 HIS A 94 -1.648 9.367 39.068 1.00 41.24 C ATOM 1287 CE1 HIS A 94 -1.194 7.838 40.572 1.00 52.20 C ATOM 1288 NE2 HIS A 94 -1.836 8.975 40.370 1.00 2.01 N ATOM 0 H HIS A 94 -1.370 6.323 35.823 1.00 51.21 H new ATOM 0 HA HIS A 94 -2.219 9.091 36.343 1.00 25.35 H new ATOM 0 HB2 HIS A 94 0.199 7.399 36.962 1.00 2.44 H new ATOM 0 HB3 HIS A 94 0.370 9.142 36.908 1.00 2.44 H new ATOM 0 HD2 HIS A 94 -2.047 10.256 38.603 1.00 41.24 H new ATOM 0 HE1 HIS A 94 -1.160 7.288 41.501 1.00 52.20 H new ATOM 0 HE2 HIS A 94 -2.382 9.479 41.068 1.00 2.01 H new ATOM 1296 N HIS A 95 -0.550 8.046 33.779 1.00 51.33 N ATOM 1297 CA HIS A 95 0.013 8.432 32.490 1.00 62.13 C ATOM 1298 C HIS A 95 -0.759 7.785 31.344 1.00 53.31 C ATOM 1299 O HIS A 95 -0.167 7.286 30.387 1.00 51.53 O ATOM 1300 CB HIS A 95 1.488 8.035 32.414 1.00 33.33 C ATOM 1301 CG HIS A 95 2.370 8.830 33.327 1.00 33.21 C ATOM 1302 ND1 HIS A 95 2.024 10.073 33.813 1.00 41.33 N ATOM 1303 CD2 HIS A 95 3.589 8.551 33.844 1.00 1.12 C ATOM 1304 CE1 HIS A 95 2.994 10.526 34.588 1.00 74.15 C ATOM 1305 NE2 HIS A 95 3.955 9.621 34.624 1.00 70.22 N ATOM 0 H HIS A 95 -0.683 7.042 33.898 1.00 51.33 H new ATOM 0 HA HIS A 95 -0.070 9.515 32.395 1.00 62.13 H new ATOM 0 HB2 HIS A 95 1.584 6.977 32.659 1.00 33.33 H new ATOM 0 HB3 HIS A 95 1.836 8.157 31.388 1.00 33.33 H new ATOM 0 HD1 HIS A 95 1.155 10.566 33.607 1.00 41.33 H new ATOM 0 HD2 HIS A 95 4.167 7.654 33.675 1.00 1.12 H new ATOM 0 HE1 HIS A 95 3.000 11.475 35.104 1.00 74.15 H new ATOM 1313 N ASP A 96 -2.083 7.797 31.449 1.00 75.01 N ATOM 1314 CA ASP A 96 -2.937 7.212 30.421 1.00 32.14 C ATOM 1315 C ASP A 96 -2.525 7.693 29.034 1.00 41.03 C ATOM 1316 O ASP A 96 -2.839 7.058 28.027 1.00 53.01 O ATOM 1317 CB ASP A 96 -4.402 7.565 30.683 1.00 10.51 C ATOM 1318 CG ASP A 96 -5.343 6.430 30.332 1.00 13.02 C ATOM 1319 OD1 ASP A 96 -6.000 5.897 31.252 1.00 42.43 O ATOM 1320 OD2 ASP A 96 -5.424 6.074 29.138 1.00 11.51 O ATOM 0 H ASP A 96 -2.589 8.205 32.235 1.00 75.01 H new ATOM 0 HA ASP A 96 -2.820 6.129 30.460 1.00 32.14 H new ATOM 0 HB2 ASP A 96 -4.528 7.825 31.734 1.00 10.51 H new ATOM 0 HB3 ASP A 96 -4.669 8.448 30.102 1.00 10.51 H new ATOM 1325 N ASP A 97 -1.821 8.819 28.988 1.00 21.44 N ATOM 1326 CA ASP A 97 -1.365 9.385 27.724 1.00 15.33 C ATOM 1327 C ASP A 97 -0.228 8.557 27.136 1.00 60.43 C ATOM 1328 O ASP A 97 0.317 8.891 26.084 1.00 42.13 O ATOM 1329 CB ASP A 97 -0.909 10.831 27.924 1.00 11.41 C ATOM 1330 CG ASP A 97 0.247 10.944 28.898 1.00 2.20 C ATOM 1331 OD1 ASP A 97 0.081 10.536 30.067 1.00 51.51 O ATOM 1332 OD2 ASP A 97 1.319 11.439 28.491 1.00 12.42 O ATOM 0 H ASP A 97 -1.554 9.358 29.812 1.00 21.44 H new ATOM 0 HA ASP A 97 -2.201 9.369 27.025 1.00 15.33 H new ATOM 0 HB2 ASP A 97 -0.613 11.252 26.963 1.00 11.41 H new ATOM 0 HB3 ASP A 97 -1.747 11.426 28.288 1.00 11.41 H new ATOM 1337 N ASP A 98 0.126 7.475 27.822 1.00 54.34 N ATOM 1338 CA ASP A 98 1.198 6.598 27.367 1.00 44.40 C ATOM 1339 C ASP A 98 0.645 5.250 26.918 1.00 35.43 C ATOM 1340 O ASP A 98 1.163 4.197 27.293 1.00 14.13 O ATOM 1341 CB ASP A 98 2.227 6.396 28.481 1.00 42.35 C ATOM 1342 CG ASP A 98 3.007 7.660 28.785 1.00 40.43 C ATOM 1343 OD1 ASP A 98 2.529 8.755 28.421 1.00 55.24 O ATOM 1344 OD2 ASP A 98 4.095 7.555 29.387 1.00 24.05 O ATOM 0 H ASP A 98 -0.314 7.185 28.695 1.00 54.34 H new ATOM 0 HA ASP A 98 1.684 7.072 26.514 1.00 44.40 H new ATOM 0 HB2 ASP A 98 1.719 6.060 29.385 1.00 42.35 H new ATOM 0 HB3 ASP A 98 2.920 5.606 28.193 1.00 42.35 H new ATOM 1349 N THR A 99 -0.413 5.288 26.114 1.00 60.25 N ATOM 1350 CA THR A 99 -1.039 4.070 25.616 1.00 61.45 C ATOM 1351 C THR A 99 -0.579 3.755 24.197 1.00 44.33 C ATOM 1352 O THR A 99 -1.286 3.094 23.436 1.00 50.12 O ATOM 1353 CB THR A 99 -2.575 4.180 25.632 1.00 12.01 C ATOM 1354 OG1 THR A 99 -3.008 4.816 26.840 1.00 44.22 O ATOM 1355 CG2 THR A 99 -3.218 2.806 25.519 1.00 62.14 C ATOM 0 H THR A 99 -0.854 6.150 25.794 1.00 60.25 H new ATOM 0 HA THR A 99 -0.733 3.263 26.282 1.00 61.45 H new ATOM 0 HB THR A 99 -2.883 4.779 24.775 1.00 12.01 H new ATOM 0 HG1 THR A 99 -2.775 5.768 26.810 1.00 44.22 H new ATOM 0 HG21 THR A 99 -4.303 2.910 25.533 1.00 62.14 H new ATOM 0 HG22 THR A 99 -2.910 2.336 24.585 1.00 62.14 H new ATOM 0 HG23 THR A 99 -2.902 2.186 26.358 1.00 62.14 H new ATOM 1363 N HIS A 100 0.612 4.233 23.846 1.00 35.41 N ATOM 1364 CA HIS A 100 1.167 4.001 22.518 1.00 60.15 C ATOM 1365 C HIS A 100 2.689 3.907 22.574 1.00 72.42 C ATOM 1366 O HIS A 100 3.288 4.015 23.643 1.00 62.14 O ATOM 1367 CB HIS A 100 0.749 5.121 21.564 1.00 33.23 C ATOM 1368 CG HIS A 100 -0.098 4.650 20.422 1.00 44.02 C ATOM 1369 ND1 HIS A 100 0.384 3.848 19.409 1.00 21.20 N ATOM 1370 CD2 HIS A 100 -1.402 4.872 20.136 1.00 20.42 C ATOM 1371 CE1 HIS A 100 -0.587 3.598 18.549 1.00 61.31 C ATOM 1372 NE2 HIS A 100 -1.681 4.207 18.967 1.00 14.14 N ATOM 0 H HIS A 100 1.210 4.783 24.463 1.00 35.41 H new ATOM 0 HA HIS A 100 0.775 3.054 22.148 1.00 60.15 H new ATOM 0 HB2 HIS A 100 0.201 5.878 22.124 1.00 33.23 H new ATOM 0 HB3 HIS A 100 1.643 5.602 21.168 1.00 33.23 H new ATOM 0 HD2 HIS A 100 -2.094 5.462 20.718 1.00 20.42 H new ATOM 0 HE1 HIS A 100 -0.500 2.997 17.656 1.00 61.31 H new ATOM 0 HE2 HIS A 100 -2.587 4.187 18.498 1.00 14.14 H new ATOM 1380 N GLY A 101 3.308 3.703 21.415 1.00 52.23 N ATOM 1381 CA GLY A 101 4.754 3.597 21.355 1.00 71.24 C ATOM 1382 C GLY A 101 5.402 4.830 20.758 1.00 53.41 C ATOM 1383 O GLY A 101 5.499 4.959 19.538 1.00 11.10 O ATOM 0 H GLY A 101 2.834 3.609 20.517 1.00 52.23 H new ATOM 0 HA2 GLY A 101 5.145 3.435 22.359 1.00 71.24 H new ATOM 0 HA3 GLY A 101 5.027 2.724 20.762 1.00 71.24 H new ATOM 1387 N GLU A 102 5.844 5.740 21.620 1.00 5.30 N ATOM 1388 CA GLU A 102 6.484 6.971 21.170 1.00 70.04 C ATOM 1389 C GLU A 102 7.497 7.466 22.198 1.00 33.12 C ATOM 1390 O GLU A 102 7.521 6.998 23.337 1.00 65.10 O ATOM 1391 CB GLU A 102 5.433 8.053 20.911 1.00 62.22 C ATOM 1392 CG GLU A 102 4.463 8.247 22.064 1.00 42.30 C ATOM 1393 CD GLU A 102 3.994 9.683 22.196 1.00 43.30 C ATOM 1394 OE1 GLU A 102 3.749 10.124 23.339 1.00 73.14 O ATOM 1395 OE2 GLU A 102 3.873 10.366 21.158 1.00 54.13 O ATOM 0 H GLU A 102 5.771 5.648 22.633 1.00 5.30 H new ATOM 0 HA GLU A 102 7.012 6.757 20.241 1.00 70.04 H new ATOM 0 HB2 GLU A 102 5.938 8.998 20.709 1.00 62.22 H new ATOM 0 HB3 GLU A 102 4.871 7.794 20.014 1.00 62.22 H new ATOM 0 HG2 GLU A 102 3.599 7.598 21.920 1.00 42.30 H new ATOM 0 HG3 GLU A 102 4.942 7.938 22.993 1.00 42.30 H new ATOM 1402 N CYS A 103 8.332 8.415 21.789 1.00 55.14 N ATOM 1403 CA CYS A 103 9.348 8.974 22.672 1.00 34.01 C ATOM 1404 C CYS A 103 9.983 10.216 22.053 1.00 33.05 C ATOM 1405 O CYS A 103 10.844 10.117 21.179 1.00 52.24 O ATOM 1406 CB CYS A 103 10.426 7.930 22.968 1.00 20.12 C ATOM 1407 SG CYS A 103 10.184 6.345 22.103 1.00 43.21 S ATOM 0 H CYS A 103 8.325 8.813 20.850 1.00 55.14 H new ATOM 0 HA CYS A 103 8.864 9.262 23.605 1.00 34.01 H new ATOM 0 HB2 CYS A 103 11.398 8.338 22.691 1.00 20.12 H new ATOM 0 HB3 CYS A 103 10.453 7.745 24.042 1.00 20.12 H new ATOM 1412 N THR A 104 9.552 11.386 22.514 1.00 11.34 N ATOM 1413 CA THR A 104 10.077 12.648 22.007 1.00 73.42 C ATOM 1414 C THR A 104 10.128 13.703 23.105 1.00 2.42 C ATOM 1415 O THR A 104 10.288 14.893 22.831 1.00 75.04 O ATOM 1416 CB THR A 104 9.226 13.180 20.838 1.00 4.20 C ATOM 1417 OG1 THR A 104 9.898 14.273 20.201 1.00 24.43 O ATOM 1418 CG2 THR A 104 7.859 13.635 21.326 1.00 23.45 C ATOM 0 H THR A 104 8.840 11.486 23.238 1.00 11.34 H new ATOM 0 HA THR A 104 11.088 12.450 21.651 1.00 73.42 H new ATOM 0 HB THR A 104 9.087 12.371 20.121 1.00 4.20 H new ATOM 0 HG1 THR A 104 10.226 14.897 20.882 1.00 24.43 H new ATOM 0 HG21 THR A 104 7.277 14.006 20.483 1.00 23.45 H new ATOM 0 HG22 THR A 104 7.338 12.795 21.785 1.00 23.45 H new ATOM 0 HG23 THR A 104 7.981 14.431 22.061 1.00 23.45 H new ATOM 1426 N LYS A 105 9.993 13.262 24.351 1.00 61.51 N ATOM 1427 CA LYS A 105 10.026 14.168 25.493 1.00 62.14 C ATOM 1428 C LYS A 105 11.276 13.935 26.336 1.00 13.10 C ATOM 1429 O LYS A 105 12.102 13.080 26.017 1.00 5.41 O ATOM 1430 CB LYS A 105 8.775 13.982 26.354 1.00 52.22 C ATOM 1431 CG LYS A 105 7.684 13.172 25.675 1.00 51.32 C ATOM 1432 CD LYS A 105 7.198 12.038 26.561 1.00 30.13 C ATOM 1433 CE LYS A 105 8.315 11.052 26.868 1.00 2.50 C ATOM 1434 NZ LYS A 105 8.354 9.935 25.885 1.00 62.40 N ATOM 0 H LYS A 105 9.859 12.281 24.596 1.00 61.51 H new ATOM 0 HA LYS A 105 10.050 15.190 25.114 1.00 62.14 H new ATOM 0 HB2 LYS A 105 9.055 13.490 27.285 1.00 52.22 H new ATOM 0 HB3 LYS A 105 8.377 14.962 26.618 1.00 52.22 H new ATOM 0 HG2 LYS A 105 6.847 13.824 25.426 1.00 51.32 H new ATOM 0 HG3 LYS A 105 8.062 12.766 24.737 1.00 51.32 H new ATOM 0 HD2 LYS A 105 6.805 12.446 27.492 1.00 30.13 H new ATOM 0 HD3 LYS A 105 6.377 11.517 26.069 1.00 30.13 H new ATOM 0 HE2 LYS A 105 9.272 11.574 26.863 1.00 2.50 H new ATOM 0 HE3 LYS A 105 8.178 10.648 27.871 1.00 2.50 H new ATOM 0 HZ1 LYS A 105 9.297 9.496 25.895 1.00 62.40 H new ATOM 0 HZ2 LYS A 105 7.639 9.224 26.139 1.00 62.40 H new ATOM 0 HZ3 LYS A 105 8.154 10.303 24.933 1.00 62.40 H new ATOM 1448 N LYS A 106 11.407 14.700 27.415 1.00 73.23 N ATOM 1449 CA LYS A 106 12.554 14.576 28.306 1.00 35.45 C ATOM 1450 C LYS A 106 12.537 13.233 29.030 1.00 1.14 C ATOM 1451 O LYS A 106 13.339 12.994 29.933 1.00 52.21 O ATOM 1452 CB LYS A 106 12.559 15.717 29.326 1.00 33.11 C ATOM 1453 CG LYS A 106 12.645 17.096 28.695 1.00 25.22 C ATOM 1454 CD LYS A 106 11.347 17.868 28.862 1.00 64.14 C ATOM 1455 CE LYS A 106 11.601 19.362 28.995 1.00 74.30 C ATOM 1456 NZ LYS A 106 10.356 20.107 29.333 1.00 45.23 N ATOM 0 H LYS A 106 10.732 15.413 27.693 1.00 73.23 H new ATOM 0 HA LYS A 106 13.460 14.633 27.702 1.00 35.45 H new ATOM 0 HB2 LYS A 106 11.653 15.658 29.929 1.00 33.11 H new ATOM 0 HB3 LYS A 106 13.402 15.584 30.004 1.00 33.11 H new ATOM 0 HG2 LYS A 106 13.463 17.655 29.150 1.00 25.22 H new ATOM 0 HG3 LYS A 106 12.877 16.998 27.635 1.00 25.22 H new ATOM 0 HD2 LYS A 106 10.699 17.683 28.005 1.00 64.14 H new ATOM 0 HD3 LYS A 106 10.819 17.508 29.745 1.00 64.14 H new ATOM 0 HE2 LYS A 106 12.350 19.536 29.768 1.00 74.30 H new ATOM 0 HE3 LYS A 106 12.012 19.745 28.061 1.00 74.30 H new ATOM 0 HZ1 LYS A 106 10.570 21.121 29.415 1.00 45.23 H new ATOM 0 HZ2 LYS A 106 9.650 19.962 28.583 1.00 45.23 H new ATOM 0 HZ3 LYS A 106 9.978 19.759 30.237 1.00 45.23 H new ATOM 1470 N ALA A 107 11.620 12.360 28.628 1.00 73.05 N ATOM 1471 CA ALA A 107 11.502 11.041 29.236 1.00 71.54 C ATOM 1472 C ALA A 107 12.006 9.954 28.292 1.00 50.02 C ATOM 1473 O ALA A 107 12.234 10.186 27.104 1.00 14.23 O ATOM 1474 CB ALA A 107 10.058 10.769 29.633 1.00 43.44 C ATOM 0 H ALA A 107 10.947 12.543 27.883 1.00 73.05 H new ATOM 0 HA ALA A 107 12.123 11.025 30.132 1.00 71.54 H new ATOM 0 HB1 ALA A 107 9.985 9.780 30.086 1.00 43.44 H new ATOM 0 HB2 ALA A 107 9.730 11.521 30.350 1.00 43.44 H new ATOM 0 HB3 ALA A 107 9.423 10.810 28.748 1.00 43.44 H new ATOM 1480 N PRO A 108 12.186 8.739 28.830 1.00 71.43 N ATOM 1481 CA PRO A 108 12.665 7.592 28.052 1.00 24.04 C ATOM 1482 C PRO A 108 11.631 7.101 27.045 1.00 31.15 C ATOM 1483 O PRO A 108 10.530 7.645 26.956 1.00 50.05 O ATOM 1484 CB PRO A 108 12.923 6.524 29.118 1.00 24.11 C ATOM 1485 CG PRO A 108 12.021 6.889 30.246 1.00 24.32 C ATOM 1486 CD PRO A 108 11.935 8.390 30.238 1.00 34.12 C ATOM 0 HA PRO A 108 13.544 7.842 27.457 1.00 24.04 H new ATOM 0 HB2 PRO A 108 12.701 5.526 28.740 1.00 24.11 H new ATOM 0 HB3 PRO A 108 13.967 6.521 29.431 1.00 24.11 H new ATOM 0 HG2 PRO A 108 11.036 6.441 30.118 1.00 24.32 H new ATOM 0 HG3 PRO A 108 12.416 6.526 31.195 1.00 24.32 H new ATOM 0 HD2 PRO A 108 10.957 8.738 30.570 1.00 34.12 H new ATOM 0 HD3 PRO A 108 12.675 8.838 30.901 1.00 34.12 H new ATOM 1494 N CYS A 109 11.991 6.069 26.290 1.00 61.12 N ATOM 1495 CA CYS A 109 11.094 5.504 25.289 1.00 64.32 C ATOM 1496 C CYS A 109 10.070 4.577 25.937 1.00 1.14 C ATOM 1497 O CYS A 109 10.419 3.722 26.751 1.00 64.54 O ATOM 1498 CB CYS A 109 11.893 4.739 24.232 1.00 65.31 C ATOM 1499 SG CYS A 109 11.401 5.107 22.517 1.00 21.50 S ATOM 0 H CYS A 109 12.898 5.607 26.352 1.00 61.12 H new ATOM 0 HA CYS A 109 10.562 6.326 24.809 1.00 64.32 H new ATOM 0 HB2 CYS A 109 12.951 4.972 24.353 1.00 65.31 H new ATOM 0 HB3 CYS A 109 11.779 3.670 24.410 1.00 65.31 H new ATOM 1504 N TRP A 110 8.806 4.754 25.571 1.00 32.04 N ATOM 1505 CA TRP A 110 7.730 3.934 26.117 1.00 24.43 C ATOM 1506 C TRP A 110 6.847 3.383 25.003 1.00 31.14 C ATOM 1507 O TRP A 110 6.767 3.961 23.919 1.00 32.33 O ATOM 1508 CB TRP A 110 6.887 4.749 27.098 1.00 13.33 C ATOM 1509 CG TRP A 110 5.782 5.517 26.437 1.00 62.55 C ATOM 1510 CD1 TRP A 110 4.821 5.017 25.605 1.00 33.45 C ATOM 1511 CD2 TRP A 110 5.527 6.921 26.549 1.00 24.12 C ATOM 1512 NE1 TRP A 110 3.983 6.026 25.195 1.00 64.33 N ATOM 1513 CE2 TRP A 110 4.395 7.203 25.760 1.00 0.44 C ATOM 1514 CE3 TRP A 110 6.144 7.967 27.241 1.00 30.32 C ATOM 1515 CZ2 TRP A 110 3.870 8.488 25.645 1.00 21.23 C ATOM 1516 CZ3 TRP A 110 5.622 9.241 27.126 1.00 71.14 C ATOM 1517 CH2 TRP A 110 4.494 9.493 26.333 1.00 31.35 C ATOM 0 H TRP A 110 8.501 5.458 24.899 1.00 32.04 H new ATOM 0 HA TRP A 110 8.180 3.094 26.647 1.00 24.43 H new ATOM 0 HB2 TRP A 110 6.458 4.078 27.842 1.00 13.33 H new ATOM 0 HB3 TRP A 110 7.535 5.445 27.631 1.00 13.33 H new ATOM 0 HD1 TRP A 110 4.733 3.981 25.312 1.00 33.45 H new ATOM 0 HE1 TRP A 110 3.184 5.916 24.571 1.00 64.33 H new ATOM 0 HE3 TRP A 110 7.013 7.783 27.855 1.00 30.32 H new ATOM 0 HZ2 TRP A 110 3.001 8.684 25.034 1.00 21.23 H new ATOM 0 HZ3 TRP A 110 6.091 10.057 27.656 1.00 71.14 H new ATOM 0 HH2 TRP A 110 4.110 10.500 26.264 1.00 31.35 H new ATOM 1528 N ARG A 111 6.185 2.263 25.278 1.00 43.34 N ATOM 1529 CA ARG A 111 5.308 1.635 24.297 1.00 22.33 C ATOM 1530 C ARG A 111 4.081 1.030 24.974 1.00 3.40 C ATOM 1531 O ARG A 111 4.115 0.698 26.159 1.00 34.04 O ATOM 1532 CB ARG A 111 6.064 0.551 23.526 1.00 51.11 C ATOM 1533 CG ARG A 111 6.483 -0.629 24.387 1.00 60.31 C ATOM 1534 CD ARG A 111 7.514 -1.495 23.681 1.00 64.42 C ATOM 1535 NE ARG A 111 7.795 -2.724 24.419 1.00 5.31 N ATOM 1536 CZ ARG A 111 8.334 -3.806 23.868 1.00 53.22 C ATOM 1537 NH1 ARG A 111 8.648 -3.811 22.580 1.00 73.13 N ATOM 1538 NH2 ARG A 111 8.559 -4.885 24.606 1.00 64.45 N ATOM 0 H ARG A 111 6.239 1.773 26.171 1.00 43.34 H new ATOM 0 HA ARG A 111 4.975 2.403 23.599 1.00 22.33 H new ATOM 0 HB2 ARG A 111 5.435 0.191 22.712 1.00 51.11 H new ATOM 0 HB3 ARG A 111 6.951 0.992 23.072 1.00 51.11 H new ATOM 0 HG2 ARG A 111 6.895 -0.266 25.329 1.00 60.31 H new ATOM 0 HG3 ARG A 111 5.608 -1.230 24.633 1.00 60.31 H new ATOM 0 HD2 ARG A 111 7.154 -1.746 22.683 1.00 64.42 H new ATOM 0 HD3 ARG A 111 8.437 -0.929 23.554 1.00 64.42 H new ATOM 0 HE ARG A 111 7.565 -2.753 25.412 1.00 5.31 H new ATOM 0 HH11 ARG A 111 8.476 -2.983 22.010 1.00 73.13 H new ATOM 0 HH12 ARG A 111 9.062 -4.643 22.159 1.00 73.13 H new ATOM 0 HH21 ARG A 111 8.318 -4.884 25.597 1.00 64.45 H new ATOM 0 HH22 ARG A 111 8.973 -5.715 24.182 1.00 64.45 H new ATOM 1552 N CYS A 112 3.001 0.892 24.214 1.00 70.03 N ATOM 1553 CA CYS A 112 1.763 0.329 24.740 1.00 15.01 C ATOM 1554 C CYS A 112 1.952 -1.133 25.130 1.00 65.34 C ATOM 1555 O CYS A 112 2.264 -1.974 24.287 1.00 21.10 O ATOM 1556 CB CYS A 112 0.642 0.453 23.707 1.00 70.34 C ATOM 1557 SG CYS A 112 -0.593 -0.865 23.796 1.00 14.40 S ATOM 0 H CYS A 112 2.957 1.162 23.231 1.00 70.03 H new ATOM 0 HA CYS A 112 1.489 0.891 25.633 1.00 15.01 H new ATOM 0 HB2 CYS A 112 0.144 1.413 23.841 1.00 70.34 H new ATOM 0 HB3 CYS A 112 1.081 0.458 22.709 1.00 70.34 H new ATOM 0 HG CYS A 112 -1.719 -0.438 23.307 1.00 14.40 H new ATOM 1563 N GLU A 113 1.764 -1.428 26.412 1.00 0.02 N ATOM 1564 CA GLU A 113 1.917 -2.789 26.913 1.00 4.21 C ATOM 1565 C GLU A 113 0.807 -3.133 27.902 1.00 42.01 C ATOM 1566 O GLU A 113 0.187 -2.246 28.489 1.00 23.13 O ATOM 1567 CB GLU A 113 3.283 -2.959 27.583 1.00 54.50 C ATOM 1568 CG GLU A 113 3.303 -2.531 29.041 1.00 53.32 C ATOM 1569 CD GLU A 113 3.165 -3.702 29.994 1.00 12.44 C ATOM 1570 OE1 GLU A 113 2.024 -3.996 30.410 1.00 25.20 O ATOM 1571 OE2 GLU A 113 4.196 -4.323 30.325 1.00 2.21 O ATOM 0 H GLU A 113 1.506 -0.743 27.123 1.00 0.02 H new ATOM 0 HA GLU A 113 1.849 -3.471 26.065 1.00 4.21 H new ATOM 0 HB2 GLU A 113 3.584 -4.005 27.516 1.00 54.50 H new ATOM 0 HB3 GLU A 113 4.023 -2.378 27.032 1.00 54.50 H new ATOM 0 HG2 GLU A 113 4.235 -2.006 29.249 1.00 53.32 H new ATOM 0 HG3 GLU A 113 2.492 -1.824 29.220 1.00 53.32 H new ATOM 1578 N TYR A 114 0.562 -4.426 28.080 1.00 73.23 N ATOM 1579 CA TYR A 114 -0.475 -4.889 28.994 1.00 13.44 C ATOM 1580 C TYR A 114 -0.423 -6.405 29.156 1.00 42.30 C ATOM 1581 O TYR A 114 0.547 -7.049 28.758 1.00 34.22 O ATOM 1582 CB TYR A 114 -1.856 -4.466 28.489 1.00 2.12 C ATOM 1583 CG TYR A 114 -2.623 -3.608 29.470 1.00 42.32 C ATOM 1584 CD1 TYR A 114 -2.672 -3.935 30.819 1.00 31.42 C ATOM 1585 CD2 TYR A 114 -3.299 -2.470 29.047 1.00 61.00 C ATOM 1586 CE1 TYR A 114 -3.372 -3.155 31.719 1.00 51.22 C ATOM 1587 CE2 TYR A 114 -4.000 -1.683 29.940 1.00 52.24 C ATOM 1588 CZ TYR A 114 -4.034 -2.029 31.274 1.00 30.42 C ATOM 1589 OH TYR A 114 -4.733 -1.249 32.166 1.00 4.43 O ATOM 0 H TYR A 114 1.068 -5.173 27.603 1.00 73.23 H new ATOM 0 HA TYR A 114 -0.295 -4.432 29.967 1.00 13.44 H new ATOM 0 HB2 TYR A 114 -1.740 -3.918 27.554 1.00 2.12 H new ATOM 0 HB3 TYR A 114 -2.441 -5.358 28.265 1.00 2.12 H new ATOM 0 HD1 TYR A 114 -2.154 -4.815 31.171 1.00 31.42 H new ATOM 0 HD2 TYR A 114 -3.276 -2.196 28.003 1.00 61.00 H new ATOM 0 HE1 TYR A 114 -3.401 -3.425 32.764 1.00 51.22 H new ATOM 0 HE2 TYR A 114 -4.519 -0.801 29.595 1.00 52.24 H new ATOM 0 HH TYR A 114 -5.140 -0.494 31.692 1.00 4.43 H new ATOM 1599 N ASN A 115 -1.474 -6.967 29.743 1.00 73.53 N ATOM 1600 CA ASN A 115 -1.550 -8.408 29.958 1.00 64.04 C ATOM 1601 C ASN A 115 -2.272 -9.093 28.802 1.00 71.42 C ATOM 1602 O ASN A 115 -2.841 -8.433 27.933 1.00 32.03 O ATOM 1603 CB ASN A 115 -2.267 -8.711 31.274 1.00 34.42 C ATOM 1604 CG ASN A 115 -3.591 -7.981 31.393 1.00 72.14 C ATOM 1605 OD1 ASN A 115 -3.698 -6.976 32.095 1.00 45.52 O ATOM 1606 ND2 ASN A 115 -4.609 -8.486 30.704 1.00 3.43 N ATOM 0 H ASN A 115 -2.285 -6.447 30.078 1.00 73.53 H new ATOM 0 HA ASN A 115 -0.533 -8.797 30.009 1.00 64.04 H new ATOM 0 HB2 ASN A 115 -2.439 -9.785 31.352 1.00 34.42 H new ATOM 0 HB3 ASN A 115 -1.624 -8.430 32.108 1.00 34.42 H new ATOM 0 HD21 ASN A 115 -5.524 -8.038 30.745 1.00 3.43 H new ATOM 0 HD22 ASN A 115 -4.475 -9.322 30.135 1.00 3.43 H new ATOM 1613 N ALA A 116 -2.245 -10.422 28.799 1.00 31.10 N ATOM 1614 CA ALA A 116 -2.899 -11.197 27.752 1.00 34.33 C ATOM 1615 C ALA A 116 -4.371 -10.819 27.628 1.00 35.31 C ATOM 1616 O ALA A 116 -5.152 -11.011 28.560 1.00 32.05 O ATOM 1617 CB ALA A 116 -2.756 -12.686 28.031 1.00 75.33 C ATOM 0 H ALA A 116 -1.777 -10.984 29.510 1.00 31.10 H new ATOM 0 HA ALA A 116 -2.411 -10.967 26.805 1.00 34.33 H new ATOM 0 HB1 ALA A 116 -3.249 -13.253 27.241 1.00 75.33 H new ATOM 0 HB2 ALA A 116 -1.699 -12.950 28.062 1.00 75.33 H new ATOM 0 HB3 ALA A 116 -3.217 -12.922 28.990 1.00 75.33 H new ATOM 1623 N ASP A 117 -4.744 -10.281 26.472 1.00 24.10 N ATOM 1624 CA ASP A 117 -6.123 -9.876 26.226 1.00 62.31 C ATOM 1625 C ASP A 117 -6.614 -10.408 24.883 1.00 21.31 C ATOM 1626 O ASP A 117 -5.827 -10.900 24.073 1.00 73.12 O ATOM 1627 CB ASP A 117 -6.243 -8.352 26.259 1.00 11.13 C ATOM 1628 CG ASP A 117 -7.633 -7.889 26.650 1.00 70.31 C ATOM 1629 OD1 ASP A 117 -7.940 -6.696 26.447 1.00 54.22 O ATOM 1630 OD2 ASP A 117 -8.414 -8.721 27.158 1.00 42.13 O ATOM 0 H ASP A 117 -4.110 -10.115 25.690 1.00 24.10 H new ATOM 0 HA ASP A 117 -6.746 -10.299 27.014 1.00 62.31 H new ATOM 0 HB2 ASP A 117 -5.517 -7.948 26.965 1.00 11.13 H new ATOM 0 HB3 ASP A 117 -5.992 -7.949 25.278 1.00 11.13 H new ATOM 1635 N LEU A 118 -7.919 -10.308 24.654 1.00 4.23 N ATOM 1636 CA LEU A 118 -8.516 -10.780 23.410 1.00 43.23 C ATOM 1637 C LEU A 118 -8.362 -9.741 22.304 1.00 40.24 C ATOM 1638 O LEU A 118 -7.877 -8.634 22.539 1.00 14.24 O ATOM 1639 CB LEU A 118 -9.996 -11.101 23.621 1.00 32.21 C ATOM 1640 CG LEU A 118 -10.542 -12.296 22.838 1.00 10.04 C ATOM 1641 CD1 LEU A 118 -10.541 -13.546 23.704 1.00 74.40 C ATOM 1642 CD2 LEU A 118 -11.944 -12.001 22.325 1.00 62.55 C ATOM 0 H LEU A 118 -8.584 -9.904 25.314 1.00 4.23 H new ATOM 0 HA LEU A 118 -7.994 -11.687 23.106 1.00 43.23 H new ATOM 0 HB2 LEU A 118 -10.160 -11.283 24.683 1.00 32.21 H new ATOM 0 HB3 LEU A 118 -10.580 -10.220 23.354 1.00 32.21 H new ATOM 0 HG LEU A 118 -9.893 -12.472 21.980 1.00 10.04 H new ATOM 0 HD11 LEU A 118 -10.933 -14.386 23.131 1.00 74.40 H new ATOM 0 HD12 LEU A 118 -9.522 -13.767 24.022 1.00 74.40 H new ATOM 0 HD13 LEU A 118 -11.167 -13.382 24.581 1.00 74.40 H new ATOM 0 HD21 LEU A 118 -12.317 -12.862 21.770 1.00 62.55 H new ATOM 0 HD22 LEU A 118 -12.605 -11.798 23.168 1.00 62.55 H new ATOM 0 HD23 LEU A 118 -11.916 -11.131 21.669 1.00 62.55 H new ATOM 1654 N LYS A 119 -8.780 -10.104 21.096 1.00 43.03 N ATOM 1655 CA LYS A 119 -8.692 -9.203 19.953 1.00 74.25 C ATOM 1656 C LYS A 119 -9.203 -7.813 20.315 1.00 13.54 C ATOM 1657 O LYS A 119 -10.374 -7.639 20.654 1.00 35.45 O ATOM 1658 CB LYS A 119 -9.494 -9.761 18.775 1.00 74.53 C ATOM 1659 CG LYS A 119 -10.906 -10.183 19.145 1.00 23.13 C ATOM 1660 CD LYS A 119 -11.562 -10.978 18.029 1.00 44.24 C ATOM 1661 CE LYS A 119 -11.883 -10.096 16.832 1.00 71.24 C ATOM 1662 NZ LYS A 119 -10.809 -10.147 15.801 1.00 73.00 N ATOM 0 H LYS A 119 -9.183 -11.016 20.883 1.00 43.03 H new ATOM 0 HA LYS A 119 -7.644 -9.122 19.666 1.00 74.25 H new ATOM 0 HB2 LYS A 119 -9.543 -9.006 17.990 1.00 74.53 H new ATOM 0 HB3 LYS A 119 -8.965 -10.619 18.360 1.00 74.53 H new ATOM 0 HG2 LYS A 119 -10.880 -10.784 20.054 1.00 23.13 H new ATOM 0 HG3 LYS A 119 -11.505 -9.299 19.364 1.00 23.13 H new ATOM 0 HD2 LYS A 119 -10.900 -11.787 17.719 1.00 44.24 H new ATOM 0 HD3 LYS A 119 -12.478 -11.439 18.399 1.00 44.24 H new ATOM 0 HE2 LYS A 119 -12.827 -10.414 16.389 1.00 71.24 H new ATOM 0 HE3 LYS A 119 -12.018 -9.067 17.165 1.00 71.24 H new ATOM 0 HZ1 LYS A 119 -10.633 -9.189 15.436 1.00 73.00 H new ATOM 0 HZ2 LYS A 119 -9.937 -10.522 16.226 1.00 73.00 H new ATOM 0 HZ3 LYS A 119 -11.107 -10.766 15.020 1.00 73.00 H new ATOM 1676 N HIS A 120 -8.318 -6.824 20.241 1.00 52.43 N ATOM 1677 CA HIS A 120 -8.681 -5.447 20.559 1.00 21.24 C ATOM 1678 C HIS A 120 -7.736 -4.464 19.876 1.00 65.02 C ATOM 1679 O HIS A 120 -6.944 -4.846 19.014 1.00 70.32 O ATOM 1680 CB HIS A 120 -8.656 -5.228 22.072 1.00 31.45 C ATOM 1681 CG HIS A 120 -9.905 -4.598 22.607 1.00 51.10 C ATOM 1682 ND1 HIS A 120 -11.168 -4.945 22.175 1.00 22.43 N ATOM 1683 CD2 HIS A 120 -10.081 -3.638 23.545 1.00 43.33 C ATOM 1684 CE1 HIS A 120 -12.066 -4.225 22.823 1.00 21.11 C ATOM 1685 NE2 HIS A 120 -11.432 -3.424 23.660 1.00 12.15 N ATOM 0 H HIS A 120 -7.345 -6.950 19.964 1.00 52.43 H new ATOM 0 HA HIS A 120 -9.691 -5.269 20.189 1.00 21.24 H new ATOM 0 HB2 HIS A 120 -8.502 -6.187 22.567 1.00 31.45 H new ATOM 0 HB3 HIS A 120 -7.804 -4.598 22.326 1.00 31.45 H new ATOM 0 HD1 HIS A 120 -11.376 -5.648 21.466 1.00 22.43 H new ATOM 0 HD2 HIS A 120 -9.303 -3.134 24.100 1.00 43.33 H new ATOM 0 HE1 HIS A 120 -13.136 -4.282 22.691 1.00 21.11 H new ATOM 1693 N ASP A 121 -7.824 -3.197 20.265 1.00 35.25 N ATOM 1694 CA ASP A 121 -6.977 -2.159 19.690 1.00 21.04 C ATOM 1695 C ASP A 121 -5.502 -2.466 19.931 1.00 72.51 C ATOM 1696 O ASP A 121 -5.138 -3.054 20.950 1.00 43.52 O ATOM 1697 CB ASP A 121 -7.330 -0.795 20.285 1.00 0.04 C ATOM 1698 CG ASP A 121 -6.232 0.229 20.077 1.00 50.43 C ATOM 1699 OD1 ASP A 121 -5.810 0.419 18.917 1.00 43.04 O ATOM 1700 OD2 ASP A 121 -5.796 0.842 21.073 1.00 4.12 O ATOM 0 H ASP A 121 -8.474 -2.864 20.977 1.00 35.25 H new ATOM 0 HA ASP A 121 -7.154 -2.135 18.615 1.00 21.04 H new ATOM 0 HB2 ASP A 121 -8.252 -0.432 19.831 1.00 0.04 H new ATOM 0 HB3 ASP A 121 -7.522 -0.906 21.352 1.00 0.04 H new ATOM 1705 N VAL A 122 -4.658 -2.067 18.985 1.00 3.33 N ATOM 1706 CA VAL A 122 -3.222 -2.299 19.094 1.00 35.31 C ATOM 1707 C VAL A 122 -2.446 -0.989 19.023 1.00 75.02 C ATOM 1708 O VAL A 122 -2.762 -0.112 18.217 1.00 24.23 O ATOM 1709 CB VAL A 122 -2.721 -3.241 17.984 1.00 61.45 C ATOM 1710 CG1 VAL A 122 -3.182 -4.667 18.244 1.00 70.30 C ATOM 1711 CG2 VAL A 122 -3.196 -2.759 16.621 1.00 31.03 C ATOM 0 H VAL A 122 -4.943 -1.582 18.135 1.00 3.33 H new ATOM 0 HA VAL A 122 -3.049 -2.767 20.063 1.00 35.31 H new ATOM 0 HB VAL A 122 -1.631 -3.231 17.988 1.00 61.45 H new ATOM 0 HG11 VAL A 122 -2.818 -5.318 17.449 1.00 70.30 H new ATOM 0 HG12 VAL A 122 -2.787 -5.008 19.201 1.00 70.30 H new ATOM 0 HG13 VAL A 122 -4.271 -4.698 18.269 1.00 70.30 H new ATOM 0 HG21 VAL A 122 -2.833 -3.437 15.848 1.00 31.03 H new ATOM 0 HG22 VAL A 122 -4.286 -2.738 16.602 1.00 31.03 H new ATOM 0 HG23 VAL A 122 -2.810 -1.757 16.435 1.00 31.03 H new ATOM 1721 N CYS A 123 -1.431 -0.863 19.870 1.00 41.34 N ATOM 1722 CA CYS A 123 -0.609 0.342 19.903 1.00 23.32 C ATOM 1723 C CYS A 123 0.845 -0.001 20.215 1.00 55.41 C ATOM 1724 O CYS A 123 1.127 -0.959 20.933 1.00 41.21 O ATOM 1725 CB CYS A 123 -1.149 1.324 20.944 1.00 65.21 C ATOM 1726 SG CYS A 123 -2.877 1.790 20.692 1.00 34.32 S ATOM 0 H CYS A 123 -1.157 -1.579 20.543 1.00 41.34 H new ATOM 0 HA CYS A 123 -0.650 0.808 18.919 1.00 23.32 H new ATOM 0 HB2 CYS A 123 -1.044 0.881 21.934 1.00 65.21 H new ATOM 0 HB3 CYS A 123 -0.535 2.225 20.931 1.00 65.21 H new ATOM 0 HG CYS A 123 -2.943 2.767 19.837 1.00 34.32 H new ATOM 1732 N GLY A 124 1.764 0.789 19.668 1.00 52.20 N ATOM 1733 CA GLY A 124 3.177 0.552 19.898 1.00 50.43 C ATOM 1734 C GLY A 124 3.932 0.259 18.616 1.00 15.02 C ATOM 1735 O GLY A 124 4.784 1.043 18.197 1.00 71.25 O ATOM 0 H GLY A 124 1.555 1.588 19.070 1.00 52.20 H new ATOM 0 HA2 GLY A 124 3.615 1.425 20.382 1.00 50.43 H new ATOM 0 HA3 GLY A 124 3.295 -0.286 20.585 1.00 50.43 H new ATOM 1739 N CYS A 125 3.620 -0.872 17.994 1.00 72.41 N ATOM 1740 CA CYS A 125 4.277 -1.269 16.753 1.00 13.24 C ATOM 1741 C CYS A 125 3.673 -0.536 15.560 1.00 11.51 C ATOM 1742 O CYS A 125 3.983 -0.843 14.410 1.00 51.24 O ATOM 1743 CB CYS A 125 4.161 -2.780 16.551 1.00 75.22 C ATOM 1744 SG CYS A 125 2.494 -3.343 16.130 1.00 4.40 S ATOM 0 H CYS A 125 2.916 -1.531 18.328 1.00 72.41 H new ATOM 0 HA CYS A 125 5.331 -1.000 16.826 1.00 13.24 H new ATOM 0 HB2 CYS A 125 4.846 -3.084 15.759 1.00 75.22 H new ATOM 0 HB3 CYS A 125 4.484 -3.283 17.462 1.00 75.22 H new ATOM 0 HG CYS A 125 1.738 -2.315 15.885 1.00 4.40 H new ATOM 1750 N GLU A 126 2.808 0.434 15.843 1.00 23.23 N ATOM 1751 CA GLU A 126 2.159 1.209 14.792 1.00 23.43 C ATOM 1752 C GLU A 126 3.142 2.184 14.150 1.00 74.33 C ATOM 1753 O GLU A 126 2.780 3.311 13.809 1.00 64.23 O ATOM 1754 CB GLU A 126 0.961 1.973 15.358 1.00 52.41 C ATOM 1755 CG GLU A 126 -0.241 1.091 15.651 1.00 0.20 C ATOM 1756 CD GLU A 126 0.148 -0.241 16.261 1.00 65.53 C ATOM 1757 OE1 GLU A 126 -0.074 -1.281 15.605 1.00 14.11 O ATOM 1758 OE2 GLU A 126 0.675 -0.245 17.393 1.00 65.43 O ATOM 0 H GLU A 126 2.541 0.701 16.790 1.00 23.23 H new ATOM 0 HA GLU A 126 1.810 0.516 14.027 1.00 23.43 H new ATOM 0 HB2 GLU A 126 1.263 2.477 16.276 1.00 52.41 H new ATOM 0 HB3 GLU A 126 0.668 2.748 14.650 1.00 52.41 H new ATOM 0 HG2 GLU A 126 -0.914 1.614 16.330 1.00 0.20 H new ATOM 0 HG3 GLU A 126 -0.792 0.916 14.727 1.00 0.20 H new ATOM 1765 N CYS A 127 4.384 1.742 13.988 1.00 11.25 N ATOM 1766 CA CYS A 127 5.420 2.576 13.388 1.00 33.33 C ATOM 1767 C CYS A 127 5.291 2.593 11.869 1.00 61.34 C ATOM 1768 O CYS A 127 4.945 1.584 11.254 1.00 41.15 O ATOM 1769 CB CYS A 127 6.806 2.070 13.789 1.00 3.02 C ATOM 1770 SG CYS A 127 7.110 2.082 15.572 1.00 55.33 S ATOM 0 H CYS A 127 4.698 0.812 14.263 1.00 11.25 H new ATOM 0 HA CYS A 127 5.292 3.594 13.757 1.00 33.33 H new ATOM 0 HB2 CYS A 127 6.931 1.053 13.417 1.00 3.02 H new ATOM 0 HB3 CYS A 127 7.561 2.684 13.298 1.00 3.02 H new ATOM 0 HG CYS A 127 7.763 3.159 15.894 1.00 55.33 H new ATOM 1776 N SER A 128 5.570 3.746 11.269 1.00 23.22 N ATOM 1777 CA SER A 128 5.480 3.896 9.822 1.00 45.15 C ATOM 1778 C SER A 128 6.865 3.840 9.183 1.00 52.34 C ATOM 1779 O SER A 128 7.869 3.635 9.865 1.00 50.11 O ATOM 1780 CB SER A 128 4.795 5.217 9.466 1.00 22.02 C ATOM 1781 OG SER A 128 4.715 5.388 8.062 1.00 53.21 O ATOM 0 H SER A 128 5.860 4.590 11.763 1.00 23.22 H new ATOM 0 HA SER A 128 4.885 3.070 9.432 1.00 45.15 H new ATOM 0 HB2 SER A 128 3.793 5.238 9.896 1.00 22.02 H new ATOM 0 HB3 SER A 128 5.348 6.047 9.906 1.00 22.02 H new ATOM 0 HG SER A 128 5.160 6.224 7.808 1.00 53.21 H new ATOM 1787 N LYS A 129 6.910 4.025 7.868 1.00 64.44 N ATOM 1788 CA LYS A 129 8.170 3.997 7.134 1.00 40.12 C ATOM 1789 C LYS A 129 9.274 4.695 7.922 1.00 40.03 C ATOM 1790 O LYS A 129 10.029 4.053 8.653 1.00 4.41 O ATOM 1791 CB LYS A 129 8.003 4.666 5.768 1.00 51.14 C ATOM 1792 CG LYS A 129 9.315 4.890 5.036 1.00 53.44 C ATOM 1793 CD LYS A 129 9.100 5.038 3.539 1.00 71.44 C ATOM 1794 CE LYS A 129 10.421 5.176 2.797 1.00 55.21 C ATOM 1795 NZ LYS A 129 11.306 6.195 3.426 1.00 32.03 N ATOM 0 H LYS A 129 6.088 4.196 7.288 1.00 64.44 H new ATOM 0 HA LYS A 129 8.454 2.955 6.989 1.00 40.12 H new ATOM 0 HB2 LYS A 129 7.351 4.050 5.148 1.00 51.14 H new ATOM 0 HB3 LYS A 129 7.503 5.625 5.901 1.00 51.14 H new ATOM 0 HG2 LYS A 129 9.802 5.785 5.425 1.00 53.44 H new ATOM 0 HG3 LYS A 129 9.987 4.053 5.227 1.00 53.44 H new ATOM 0 HD2 LYS A 129 8.558 4.171 3.161 1.00 71.44 H new ATOM 0 HD3 LYS A 129 8.479 5.912 3.344 1.00 71.44 H new ATOM 0 HE2 LYS A 129 10.931 4.213 2.781 1.00 55.21 H new ATOM 0 HE3 LYS A 129 10.228 5.452 1.760 1.00 55.21 H new ATOM 0 HZ1 LYS A 129 11.718 6.801 2.688 1.00 32.03 H new ATOM 0 HZ2 LYS A 129 10.750 6.779 4.083 1.00 32.03 H new ATOM 0 HZ3 LYS A 129 12.069 5.718 3.947 1.00 32.03 H new ATOM 1809 N LEU A 130 9.361 6.012 7.769 1.00 25.31 N ATOM 1810 CA LEU A 130 10.373 6.797 8.468 1.00 54.40 C ATOM 1811 C LEU A 130 9.919 8.244 8.634 1.00 2.30 C ATOM 1812 O LEU A 130 10.569 9.181 8.170 1.00 2.42 O ATOM 1813 CB LEU A 130 11.699 6.751 7.707 1.00 31.31 C ATOM 1814 CG LEU A 130 12.965 6.818 8.561 1.00 24.43 C ATOM 1815 CD1 LEU A 130 13.039 8.143 9.304 1.00 32.52 C ATOM 1816 CD2 LEU A 130 13.011 5.652 9.539 1.00 4.40 C ATOM 0 H LEU A 130 8.744 6.558 7.168 1.00 25.31 H new ATOM 0 HA LEU A 130 10.515 6.363 9.458 1.00 54.40 H new ATOM 0 HB2 LEU A 130 11.728 5.832 7.122 1.00 31.31 H new ATOM 0 HB3 LEU A 130 11.718 7.580 6.999 1.00 31.31 H new ATOM 0 HG LEU A 130 13.829 6.747 7.901 1.00 24.43 H new ATOM 0 HD11 LEU A 130 13.947 8.172 9.907 1.00 32.52 H new ATOM 0 HD12 LEU A 130 13.054 8.963 8.586 1.00 32.52 H new ATOM 0 HD13 LEU A 130 12.169 8.245 9.953 1.00 32.52 H new ATOM 0 HD21 LEU A 130 13.919 5.716 10.139 1.00 4.40 H new ATOM 0 HD22 LEU A 130 12.140 5.692 10.194 1.00 4.40 H new ATOM 0 HD23 LEU A 130 13.007 4.713 8.986 1.00 4.40 H new ATOM 1828 N PRO A 131 8.778 8.433 9.313 1.00 22.24 N ATOM 1829 CA PRO A 131 8.214 9.763 9.559 1.00 13.20 C ATOM 1830 C PRO A 131 9.049 10.574 10.544 1.00 52.42 C ATOM 1831 O PRO A 131 9.988 11.268 10.153 1.00 23.01 O ATOM 1832 CB PRO A 131 6.835 9.460 10.150 1.00 32.13 C ATOM 1833 CG PRO A 131 6.973 8.107 10.759 1.00 11.33 C ATOM 1834 CD PRO A 131 7.951 7.362 9.894 1.00 24.25 C ATOM 0 HA PRO A 131 8.181 10.366 8.651 1.00 13.20 H new ATOM 0 HB2 PRO A 131 6.552 10.203 10.896 1.00 32.13 H new ATOM 0 HB3 PRO A 131 6.063 9.471 9.380 1.00 32.13 H new ATOM 0 HG2 PRO A 131 7.333 8.176 11.785 1.00 11.33 H new ATOM 0 HG3 PRO A 131 6.012 7.594 10.792 1.00 11.33 H new ATOM 0 HD2 PRO A 131 8.551 6.662 10.476 1.00 24.25 H new ATOM 0 HD3 PRO A 131 7.444 6.782 9.122 1.00 24.25 H new ATOM 1842 N CYS A 132 8.701 10.483 11.823 1.00 20.01 N ATOM 1843 CA CYS A 132 9.418 11.208 12.865 1.00 42.13 C ATOM 1844 C CYS A 132 9.909 10.256 13.951 1.00 33.44 C ATOM 1845 O CYS A 132 9.490 10.345 15.105 1.00 50.23 O ATOM 1846 CB CYS A 132 8.518 12.281 13.480 1.00 2.42 C ATOM 1847 SG CYS A 132 6.882 11.672 13.998 1.00 34.33 S ATOM 0 H CYS A 132 7.926 9.914 12.163 1.00 20.01 H new ATOM 0 HA CYS A 132 10.284 11.688 12.409 1.00 42.13 H new ATOM 0 HB2 CYS A 132 9.023 12.712 14.344 1.00 2.42 H new ATOM 0 HB3 CYS A 132 8.382 13.085 12.756 1.00 2.42 H new ATOM 1852 N ASN A 133 10.799 9.344 13.574 1.00 42.13 N ATOM 1853 CA ASN A 133 11.347 8.375 14.515 1.00 31.44 C ATOM 1854 C ASN A 133 12.871 8.433 14.531 1.00 24.31 C ATOM 1855 O ASN A 133 13.518 8.305 13.492 1.00 64.45 O ATOM 1856 CB ASN A 133 10.883 6.962 14.153 1.00 10.32 C ATOM 1857 CG ASN A 133 10.093 6.927 12.859 1.00 45.31 C ATOM 1858 OD1 ASN A 133 8.918 6.560 12.845 1.00 4.43 O ATOM 1859 ND2 ASN A 133 10.738 7.310 11.763 1.00 72.35 N ATOM 0 H ASN A 133 11.156 9.256 12.623 1.00 42.13 H new ATOM 0 HA ASN A 133 10.981 8.627 15.511 1.00 31.44 H new ATOM 0 HB2 ASN A 133 11.751 6.309 14.063 1.00 10.32 H new ATOM 0 HB3 ASN A 133 10.269 6.566 14.962 1.00 10.32 H new ATOM 0 HD21 ASN A 133 10.259 7.308 10.862 1.00 72.35 H new ATOM 0 HD22 ASN A 133 11.712 7.607 11.822 1.00 72.35 H new ATOM 1866 N ASP A 134 13.438 8.626 15.717 1.00 43.22 N ATOM 1867 CA ASP A 134 14.887 8.700 15.869 1.00 72.31 C ATOM 1868 C ASP A 134 15.411 7.507 16.662 1.00 62.53 C ATOM 1869 O ASP A 134 15.740 6.467 16.091 1.00 34.13 O ATOM 1870 CB ASP A 134 15.283 10.003 16.564 1.00 54.41 C ATOM 1871 CG ASP A 134 15.557 11.124 15.580 1.00 23.32 C ATOM 1872 OD1 ASP A 134 15.629 10.843 14.365 1.00 33.32 O ATOM 1873 OD2 ASP A 134 15.700 12.282 16.025 1.00 21.40 O ATOM 0 H ASP A 134 12.917 8.734 16.587 1.00 43.22 H new ATOM 0 HA ASP A 134 15.333 8.678 14.875 1.00 72.31 H new ATOM 0 HB2 ASP A 134 14.486 10.306 17.243 1.00 54.41 H new ATOM 0 HB3 ASP A 134 16.171 9.832 17.172 1.00 54.41 H new ATOM 1878 N GLU A 135 15.487 7.665 17.979 1.00 5.44 N ATOM 1879 CA GLU A 135 15.974 6.601 18.849 1.00 0.24 C ATOM 1880 C GLU A 135 16.107 7.093 20.288 1.00 64.21 C ATOM 1881 O GLU A 135 16.995 7.885 20.605 1.00 24.34 O ATOM 1882 CB GLU A 135 17.323 6.080 18.350 1.00 42.33 C ATOM 1883 CG GLU A 135 17.277 4.643 17.859 1.00 31.02 C ATOM 1884 CD GLU A 135 18.626 4.147 17.378 1.00 45.15 C ATOM 1885 OE1 GLU A 135 19.324 3.472 18.163 1.00 64.22 O ATOM 1886 OE2 GLU A 135 18.985 4.434 16.216 1.00 11.24 O ATOM 0 H GLU A 135 15.218 8.519 18.467 1.00 5.44 H new ATOM 0 HA GLU A 135 15.248 5.788 18.826 1.00 0.24 H new ATOM 0 HB2 GLU A 135 17.673 6.720 17.541 1.00 42.33 H new ATOM 0 HB3 GLU A 135 18.053 6.156 19.156 1.00 42.33 H new ATOM 0 HG2 GLU A 135 16.924 3.999 18.664 1.00 31.02 H new ATOM 0 HG3 GLU A 135 16.554 4.564 17.047 1.00 31.02 H new ATOM 1893 N HIS A 136 15.218 6.618 21.154 1.00 22.23 N ATOM 1894 CA HIS A 136 15.236 7.008 22.560 1.00 52.45 C ATOM 1895 C HIS A 136 15.430 5.792 23.459 1.00 24.32 C ATOM 1896 O HIS A 136 15.063 4.669 23.114 1.00 72.44 O ATOM 1897 CB HIS A 136 13.937 7.727 22.927 1.00 22.23 C ATOM 1898 CG HIS A 136 13.970 9.199 22.656 1.00 54.34 C ATOM 1899 ND1 HIS A 136 14.969 9.808 21.926 1.00 1.24 N ATOM 1900 CD2 HIS A 136 13.117 10.186 23.019 1.00 74.44 C ATOM 1901 CE1 HIS A 136 14.730 11.106 21.854 1.00 24.52 C ATOM 1902 NE2 HIS A 136 13.612 11.360 22.509 1.00 53.44 N ATOM 0 H HIS A 136 14.476 5.963 20.908 1.00 22.23 H new ATOM 0 HA HIS A 136 16.075 7.687 22.713 1.00 52.45 H new ATOM 0 HB2 HIS A 136 13.114 7.281 22.368 1.00 22.23 H new ATOM 0 HB3 HIS A 136 13.728 7.565 23.985 1.00 22.23 H new ATOM 0 HD1 HIS A 136 15.768 9.331 21.507 1.00 1.24 H new ATOM 0 HD2 HIS A 136 12.215 10.071 23.602 1.00 74.44 H new ATOM 0 HE1 HIS A 136 15.344 11.835 21.346 1.00 24.52 H new ATOM 1910 N PRO A 137 16.023 6.018 24.641 1.00 33.42 N ATOM 1911 CA PRO A 137 16.280 4.952 25.614 1.00 33.15 C ATOM 1912 C PRO A 137 14.997 4.423 26.248 1.00 41.45 C ATOM 1913 O PRO A 137 14.387 5.089 27.086 1.00 64.15 O ATOM 1914 CB PRO A 137 17.153 5.637 26.668 1.00 3.13 C ATOM 1915 CG PRO A 137 16.806 7.082 26.567 1.00 13.21 C ATOM 1916 CD PRO A 137 16.487 7.331 25.119 1.00 72.01 C ATOM 0 HA PRO A 137 16.748 4.083 25.152 1.00 33.15 H new ATOM 0 HB2 PRO A 137 16.947 5.249 27.666 1.00 3.13 H new ATOM 0 HB3 PRO A 137 18.212 5.470 26.474 1.00 3.13 H new ATOM 0 HG2 PRO A 137 15.953 7.324 27.202 1.00 13.21 H new ATOM 0 HG3 PRO A 137 17.636 7.707 26.897 1.00 13.21 H new ATOM 0 HD2 PRO A 137 15.719 8.095 25.003 1.00 72.01 H new ATOM 0 HD3 PRO A 137 17.363 7.673 24.568 1.00 72.01 H new ATOM 1924 N CYS A 138 14.594 3.224 25.842 1.00 14.55 N ATOM 1925 CA CYS A 138 13.382 2.607 26.371 1.00 63.35 C ATOM 1926 C CYS A 138 13.535 2.294 27.855 1.00 35.25 C ATOM 1927 O CYS A 138 14.632 2.000 28.329 1.00 23.40 O ATOM 1928 CB CYS A 138 13.059 1.327 25.598 1.00 50.12 C ATOM 1929 SG CYS A 138 13.287 1.467 23.810 1.00 43.04 S ATOM 0 H CYS A 138 15.087 2.660 25.150 1.00 14.55 H new ATOM 0 HA CYS A 138 12.561 3.314 26.250 1.00 63.35 H new ATOM 0 HB2 CYS A 138 13.690 0.521 25.972 1.00 50.12 H new ATOM 0 HB3 CYS A 138 12.026 1.044 25.801 1.00 50.12 H new ATOM 0 HG CYS A 138 12.128 1.443 23.222 1.00 43.04 H new ATOM 1935 N TYR A 139 12.427 2.361 28.585 1.00 33.13 N ATOM 1936 CA TYR A 139 12.437 2.089 30.018 1.00 64.23 C ATOM 1937 C TYR A 139 11.338 1.100 30.393 1.00 62.54 C ATOM 1938 O TYR A 139 10.812 0.386 29.538 1.00 24.34 O ATOM 1939 CB TYR A 139 12.261 3.388 30.806 1.00 34.41 C ATOM 1940 CG TYR A 139 13.029 3.415 32.108 1.00 35.23 C ATOM 1941 CD1 TYR A 139 12.386 3.683 33.311 1.00 72.42 C ATOM 1942 CD2 TYR A 139 14.397 3.174 32.136 1.00 35.12 C ATOM 1943 CE1 TYR A 139 13.083 3.709 34.503 1.00 4.30 C ATOM 1944 CE2 TYR A 139 15.102 3.197 33.324 1.00 53.02 C ATOM 1945 CZ TYR A 139 14.441 3.465 34.504 1.00 11.44 C ATOM 1946 OH TYR A 139 15.140 3.491 35.689 1.00 21.33 O ATOM 0 H TYR A 139 11.510 2.601 28.208 1.00 33.13 H new ATOM 0 HA TYR A 139 13.400 1.646 30.271 1.00 64.23 H new ATOM 0 HB2 TYR A 139 12.583 4.225 30.187 1.00 34.41 H new ATOM 0 HB3 TYR A 139 11.202 3.535 31.016 1.00 34.41 H new ATOM 0 HD1 TYR A 139 11.323 3.874 33.314 1.00 72.42 H new ATOM 0 HD2 TYR A 139 14.918 2.965 31.213 1.00 35.12 H new ATOM 0 HE1 TYR A 139 12.568 3.919 35.429 1.00 4.30 H new ATOM 0 HE2 TYR A 139 16.165 3.006 33.328 1.00 53.02 H new ATOM 0 HH TYR A 139 16.085 3.298 35.516 1.00 21.33 H new ATOM 1956 N ARG A 140 10.996 1.064 31.676 1.00 32.02 N ATOM 1957 CA ARG A 140 9.960 0.163 32.166 1.00 72.30 C ATOM 1958 C ARG A 140 9.372 -0.662 31.024 1.00 1.43 C ATOM 1959 O ARG A 140 9.602 -1.868 30.932 1.00 42.40 O ATOM 1960 CB ARG A 140 8.851 0.955 32.860 1.00 11.34 C ATOM 1961 CG ARG A 140 8.083 0.150 33.895 1.00 34.51 C ATOM 1962 CD ARG A 140 8.999 -0.362 34.996 1.00 40.14 C ATOM 1963 NE ARG A 140 8.541 0.044 36.322 1.00 44.13 N ATOM 1964 CZ ARG A 140 9.007 -0.477 37.451 1.00 21.13 C ATOM 1965 NH1 ARG A 140 9.939 -1.419 37.416 1.00 61.53 N ATOM 1966 NH2 ARG A 140 8.541 -0.055 38.620 1.00 72.32 N ATOM 0 H ARG A 140 11.421 1.649 32.396 1.00 32.02 H new ATOM 0 HA ARG A 140 10.416 -0.517 32.886 1.00 72.30 H new ATOM 0 HB2 ARG A 140 9.288 1.829 33.343 1.00 11.34 H new ATOM 0 HB3 ARG A 140 8.153 1.323 32.107 1.00 11.34 H new ATOM 0 HG2 ARG A 140 7.300 0.770 34.331 1.00 34.51 H new ATOM 0 HG3 ARG A 140 7.590 -0.692 33.410 1.00 34.51 H new ATOM 0 HD2 ARG A 140 9.051 -1.450 34.948 1.00 40.14 H new ATOM 0 HD3 ARG A 140 10.009 0.013 34.831 1.00 40.14 H new ATOM 0 HE ARG A 140 7.824 0.767 36.384 1.00 44.13 H new ATOM 0 HH11 ARG A 140 10.300 -1.746 36.520 1.00 61.53 H new ATOM 0 HH12 ARG A 140 10.295 -1.817 38.285 1.00 61.53 H new ATOM 0 HH21 ARG A 140 7.824 0.670 38.652 1.00 72.32 H new ATOM 0 HH22 ARG A 140 8.900 -0.456 39.487 1.00 72.32 H new ATOM 1980 N LYS A 141 8.612 -0.003 30.156 1.00 14.14 N ATOM 1981 CA LYS A 141 7.991 -0.673 29.020 1.00 53.31 C ATOM 1982 C LYS A 141 9.048 -1.201 28.056 1.00 60.51 C ATOM 1983 O LYS A 141 8.767 -1.439 26.882 1.00 55.53 O ATOM 1984 CB LYS A 141 7.051 0.287 28.287 1.00 43.44 C ATOM 1985 CG LYS A 141 6.204 1.138 29.217 1.00 51.12 C ATOM 1986 CD LYS A 141 4.720 0.950 28.948 1.00 23.42 C ATOM 1987 CE LYS A 141 3.905 1.053 30.228 1.00 54.43 C ATOM 1988 NZ LYS A 141 3.478 2.454 30.502 1.00 62.34 N ATOM 0 H LYS A 141 8.411 0.995 30.218 1.00 14.14 H new ATOM 0 HA LYS A 141 7.415 -1.518 29.398 1.00 53.31 H new ATOM 0 HB2 LYS A 141 7.642 0.942 27.646 1.00 43.44 H new ATOM 0 HB3 LYS A 141 6.394 -0.288 27.635 1.00 43.44 H new ATOM 0 HG2 LYS A 141 6.423 0.876 30.252 1.00 51.12 H new ATOM 0 HG3 LYS A 141 6.467 2.188 29.091 1.00 51.12 H new ATOM 0 HD2 LYS A 141 4.380 1.703 28.237 1.00 23.42 H new ATOM 0 HD3 LYS A 141 4.553 -0.023 28.486 1.00 23.42 H new ATOM 0 HE2 LYS A 141 3.026 0.414 30.151 1.00 54.43 H new ATOM 0 HE3 LYS A 141 4.496 0.683 31.066 1.00 54.43 H new ATOM 0 HZ1 LYS A 141 2.925 2.483 31.382 1.00 62.34 H new ATOM 0 HZ2 LYS A 141 4.318 3.060 30.601 1.00 62.34 H new ATOM 0 HZ3 LYS A 141 2.893 2.799 29.714 1.00 62.34 H new ATOM 2002 N GLU A 142 10.264 -1.385 28.561 1.00 40.02 N ATOM 2003 CA GLU A 142 11.362 -1.887 27.743 1.00 2.51 C ATOM 2004 C GLU A 142 12.703 -1.665 28.438 1.00 71.34 C ATOM 2005 O GLU A 142 12.761 -1.126 29.542 1.00 52.43 O ATOM 2006 CB GLU A 142 11.364 -1.200 26.376 1.00 43.23 C ATOM 2007 CG GLU A 142 10.876 -2.091 25.246 1.00 31.12 C ATOM 2008 CD GLU A 142 12.008 -2.812 24.540 1.00 2.35 C ATOM 2009 OE1 GLU A 142 12.142 -2.644 23.310 1.00 15.00 O ATOM 2010 OE2 GLU A 142 12.760 -3.543 25.218 1.00 43.03 O ATOM 0 H GLU A 142 10.513 -1.194 29.531 1.00 40.02 H new ATOM 0 HA GLU A 142 11.217 -2.958 27.603 1.00 2.51 H new ATOM 0 HB2 GLU A 142 10.734 -0.311 26.424 1.00 43.23 H new ATOM 0 HB3 GLU A 142 12.375 -0.862 26.150 1.00 43.23 H new ATOM 0 HG2 GLU A 142 10.175 -2.825 25.644 1.00 31.12 H new ATOM 0 HG3 GLU A 142 10.328 -1.487 24.523 1.00 31.12 H new ATOM 2017 N GLY A 143 13.780 -2.087 27.782 1.00 74.45 N ATOM 2018 CA GLY A 143 15.105 -1.928 28.351 1.00 40.45 C ATOM 2019 C GLY A 143 16.185 -1.848 27.290 1.00 24.03 C ATOM 2020 O GLY A 143 16.779 -2.861 26.922 1.00 51.44 O ATOM 0 H GLY A 143 13.758 -2.536 26.866 1.00 74.45 H new ATOM 0 HA2 GLY A 143 15.130 -1.024 28.959 1.00 40.45 H new ATOM 0 HA3 GLY A 143 15.315 -2.766 29.016 1.00 40.45 H new ATOM 2024 N GLY A 144 16.441 -0.640 26.797 1.00 54.12 N ATOM 2025 CA GLY A 144 17.455 -0.455 25.776 1.00 42.22 C ATOM 2026 C GLY A 144 17.248 0.816 24.976 1.00 32.00 C ATOM 2027 O GLY A 144 16.609 1.757 25.447 1.00 40.23 O ATOM 0 H GLY A 144 15.964 0.214 27.087 1.00 54.12 H new ATOM 0 HA2 GLY A 144 18.438 -0.429 26.246 1.00 42.22 H new ATOM 0 HA3 GLY A 144 17.447 -1.311 25.101 1.00 42.22 H new ATOM 2031 N VAL A 145 17.790 0.845 23.763 1.00 44.02 N ATOM 2032 CA VAL A 145 17.662 2.010 22.896 1.00 42.22 C ATOM 2033 C VAL A 145 17.072 1.627 21.543 1.00 21.44 C ATOM 2034 O VAL A 145 17.656 0.837 20.801 1.00 53.24 O ATOM 2035 CB VAL A 145 19.023 2.697 22.674 1.00 71.14 C ATOM 2036 CG1 VAL A 145 19.455 3.445 23.926 1.00 74.41 C ATOM 2037 CG2 VAL A 145 20.074 1.676 22.263 1.00 14.23 C ATOM 0 H VAL A 145 18.322 0.075 23.358 1.00 44.02 H new ATOM 0 HA VAL A 145 16.990 2.705 23.398 1.00 42.22 H new ATOM 0 HB VAL A 145 18.917 3.421 21.866 1.00 71.14 H new ATOM 0 HG11 VAL A 145 20.418 3.924 23.750 1.00 74.41 H new ATOM 0 HG12 VAL A 145 18.712 4.204 24.171 1.00 74.41 H new ATOM 0 HG13 VAL A 145 19.545 2.744 24.756 1.00 74.41 H new ATOM 0 HG21 VAL A 145 21.029 2.178 22.110 1.00 14.23 H new ATOM 0 HG22 VAL A 145 20.180 0.927 23.047 1.00 14.23 H new ATOM 0 HG23 VAL A 145 19.767 1.191 21.336 1.00 14.23 H new ATOM 2047 N VAL A 146 15.910 2.191 21.229 1.00 4.22 N ATOM 2048 CA VAL A 146 15.241 1.910 19.965 1.00 71.11 C ATOM 2049 C VAL A 146 14.682 3.185 19.343 1.00 22.04 C ATOM 2050 O VAL A 146 14.560 4.211 20.012 1.00 55.44 O ATOM 2051 CB VAL A 146 14.095 0.897 20.150 1.00 42.23 C ATOM 2052 CG1 VAL A 146 14.507 -0.206 21.113 1.00 42.51 C ATOM 2053 CG2 VAL A 146 12.837 1.600 20.637 1.00 21.22 C ATOM 0 H VAL A 146 15.413 2.845 21.833 1.00 4.22 H new ATOM 0 HA VAL A 146 15.990 1.483 19.299 1.00 71.11 H new ATOM 0 HB VAL A 146 13.878 0.440 19.185 1.00 42.23 H new ATOM 0 HG11 VAL A 146 13.685 -0.912 21.231 1.00 42.51 H new ATOM 0 HG12 VAL A 146 15.379 -0.727 20.718 1.00 42.51 H new ATOM 0 HG13 VAL A 146 14.753 0.230 22.081 1.00 42.51 H new ATOM 0 HG21 VAL A 146 12.038 0.870 20.762 1.00 21.22 H new ATOM 0 HG22 VAL A 146 13.038 2.086 21.592 1.00 21.22 H new ATOM 0 HG23 VAL A 146 12.533 2.349 19.906 1.00 21.22 H new ATOM 2063 N SER A 147 14.344 3.112 18.060 1.00 44.31 N ATOM 2064 CA SER A 147 13.801 4.262 17.346 1.00 3.11 C ATOM 2065 C SER A 147 12.677 4.916 18.144 1.00 23.44 C ATOM 2066 O SER A 147 11.829 4.231 18.717 1.00 12.04 O ATOM 2067 CB SER A 147 13.285 3.837 15.970 1.00 13.41 C ATOM 2068 OG SER A 147 13.911 4.581 14.939 1.00 74.23 O ATOM 0 H SER A 147 14.436 2.269 17.493 1.00 44.31 H new ATOM 0 HA SER A 147 14.602 4.990 17.217 1.00 3.11 H new ATOM 0 HB2 SER A 147 13.472 2.774 15.820 1.00 13.41 H new ATOM 0 HB3 SER A 147 12.206 3.981 15.923 1.00 13.41 H new ATOM 0 HG SER A 147 14.558 5.204 15.332 1.00 74.23 H new ATOM 2074 N CYS A 148 12.678 6.244 18.177 1.00 23.50 N ATOM 2075 CA CYS A 148 11.660 6.991 18.905 1.00 14.35 C ATOM 2076 C CYS A 148 10.827 7.845 17.954 1.00 21.51 C ATOM 2077 O CYS A 148 11.337 8.778 17.334 1.00 12.23 O ATOM 2078 CB CYS A 148 12.310 7.878 19.968 1.00 24.12 C ATOM 2079 SG CYS A 148 13.034 9.402 19.316 1.00 35.44 S ATOM 0 H CYS A 148 13.373 6.825 17.708 1.00 23.50 H new ATOM 0 HA CYS A 148 11.000 6.274 19.394 1.00 14.35 H new ATOM 0 HB2 CYS A 148 11.562 8.136 20.718 1.00 24.12 H new ATOM 0 HB3 CYS A 148 13.087 7.307 20.476 1.00 24.12 H new ATOM 0 HG CYS A 148 12.512 9.669 18.156 1.00 35.44 H new ATOM 2085 N ASP A 149 9.545 7.517 17.842 1.00 33.34 N ATOM 2086 CA ASP A 149 8.641 8.253 16.966 1.00 71.53 C ATOM 2087 C ASP A 149 7.532 8.925 17.769 1.00 3.23 C ATOM 2088 O ASP A 149 7.288 8.576 18.924 1.00 25.55 O ATOM 2089 CB ASP A 149 8.034 7.315 15.921 1.00 34.11 C ATOM 2090 CG ASP A 149 8.192 5.854 16.293 1.00 72.31 C ATOM 2091 OD1 ASP A 149 8.681 5.075 15.447 1.00 12.51 O ATOM 2092 OD2 ASP A 149 7.828 5.489 17.430 1.00 75.50 O ATOM 0 H ASP A 149 9.108 6.746 18.347 1.00 33.34 H new ATOM 0 HA ASP A 149 9.217 9.027 16.458 1.00 71.53 H new ATOM 0 HB2 ASP A 149 6.975 7.544 15.803 1.00 34.11 H new ATOM 0 HB3 ASP A 149 8.509 7.495 14.956 1.00 34.11 H new ATOM 2097 N CYS A 150 6.864 9.893 17.151 1.00 43.22 N ATOM 2098 CA CYS A 150 5.783 10.617 17.808 1.00 74.23 C ATOM 2099 C CYS A 150 4.441 9.933 17.560 1.00 62.31 C ATOM 2100 O CYS A 150 4.053 9.699 16.415 1.00 14.12 O ATOM 2101 CB CYS A 150 5.730 12.062 17.308 1.00 25.01 C ATOM 2102 SG CYS A 150 5.573 12.218 15.500 1.00 12.30 S ATOM 0 H CYS A 150 7.053 10.194 16.195 1.00 43.22 H new ATOM 0 HA CYS A 150 5.979 10.617 18.880 1.00 74.23 H new ATOM 0 HB2 CYS A 150 4.888 12.568 17.780 1.00 25.01 H new ATOM 0 HB3 CYS A 150 6.634 12.580 17.630 1.00 25.01 H new ATOM 2107 N LYS A 151 3.737 9.614 18.641 1.00 64.12 N ATOM 2108 CA LYS A 151 2.439 8.958 18.543 1.00 52.11 C ATOM 2109 C LYS A 151 1.371 9.750 19.291 1.00 44.30 C ATOM 2110 O LYS A 151 0.595 10.491 18.687 1.00 72.24 O ATOM 2111 CB LYS A 151 2.519 7.536 19.102 1.00 22.13 C ATOM 2112 CG LYS A 151 3.409 6.612 18.289 1.00 72.30 C ATOM 2113 CD LYS A 151 2.786 5.235 18.131 1.00 21.21 C ATOM 2114 CE LYS A 151 3.326 4.516 16.904 1.00 53.42 C ATOM 2115 NZ LYS A 151 4.813 4.449 16.910 1.00 64.01 N ATOM 0 H LYS A 151 4.044 9.800 19.596 1.00 64.12 H new ATOM 0 HA LYS A 151 2.162 8.913 17.490 1.00 52.11 H new ATOM 0 HB2 LYS A 151 2.891 7.577 20.126 1.00 22.13 H new ATOM 0 HB3 LYS A 151 1.515 7.114 19.145 1.00 22.13 H new ATOM 0 HG2 LYS A 151 3.585 7.048 17.306 1.00 72.30 H new ATOM 0 HG3 LYS A 151 4.380 6.519 18.776 1.00 72.30 H new ATOM 0 HD2 LYS A 151 2.987 4.639 19.021 1.00 21.21 H new ATOM 0 HD3 LYS A 151 1.703 5.331 18.050 1.00 21.21 H new ATOM 0 HE2 LYS A 151 2.917 3.506 16.866 1.00 53.42 H new ATOM 0 HE3 LYS A 151 2.989 5.031 16.004 1.00 53.42 H new ATOM 0 HZ1 LYS A 151 5.139 3.893 16.093 1.00 64.01 H new ATOM 0 HZ2 LYS A 151 5.204 5.411 16.853 1.00 64.01 H new ATOM 0 HZ3 LYS A 151 5.137 3.996 17.788 1.00 64.01 H new ATOM 2129 N THR A 152 1.339 9.591 20.611 1.00 53.35 N ATOM 2130 CA THR A 152 0.367 10.292 21.441 1.00 61.31 C ATOM 2131 C THR A 152 0.643 11.791 21.464 1.00 75.24 C ATOM 2132 O THR A 152 -0.283 12.602 21.425 1.00 71.14 O ATOM 2133 CB THR A 152 0.375 9.758 22.886 1.00 74.12 C ATOM 2134 OG1 THR A 152 1.520 8.925 23.094 1.00 23.34 O ATOM 2135 CG2 THR A 152 -0.893 8.969 23.178 1.00 63.44 C ATOM 0 H THR A 152 1.975 8.983 21.128 1.00 53.35 H new ATOM 0 HA THR A 152 -0.614 10.113 21.000 1.00 61.31 H new ATOM 0 HB THR A 152 0.418 10.610 23.565 1.00 74.12 H new ATOM 0 HG1 THR A 152 2.223 9.441 23.542 1.00 23.34 H new ATOM 0 HG21 THR A 152 -0.865 8.602 24.204 1.00 63.44 H new ATOM 0 HG22 THR A 152 -1.761 9.615 23.047 1.00 63.44 H new ATOM 0 HG23 THR A 152 -0.962 8.125 22.492 1.00 63.44 H new ATOM 2143 N ILE A 153 1.920 12.152 21.526 1.00 14.12 N ATOM 2144 CA ILE A 153 2.316 13.555 21.552 1.00 32.41 C ATOM 2145 C ILE A 153 3.064 13.938 20.280 1.00 52.13 C ATOM 2146 O ILE A 153 4.258 13.669 20.142 1.00 34.42 O ATOM 2147 CB ILE A 153 3.205 13.866 22.770 1.00 11.15 C ATOM 2148 CG1 ILE A 153 4.434 12.955 22.778 1.00 5.41 C ATOM 2149 CG2 ILE A 153 2.412 13.706 24.059 1.00 24.12 C ATOM 2150 CD1 ILE A 153 4.932 12.624 24.168 1.00 45.35 C ATOM 0 H ILE A 153 2.698 11.493 21.559 1.00 14.12 H new ATOM 0 HA ILE A 153 1.399 14.141 21.622 1.00 32.41 H new ATOM 0 HB ILE A 153 3.543 14.900 22.700 1.00 11.15 H new ATOM 0 HG12 ILE A 153 4.193 12.028 22.257 1.00 5.41 H new ATOM 0 HG13 ILE A 153 5.236 13.436 22.218 1.00 5.41 H new ATOM 0 HG21 ILE A 153 3.054 13.929 24.911 1.00 24.12 H new ATOM 0 HG22 ILE A 153 1.565 14.392 24.053 1.00 24.12 H new ATOM 0 HG23 ILE A 153 2.048 12.682 24.137 1.00 24.12 H new ATOM 0 HD11 ILE A 153 5.805 11.975 24.097 1.00 45.35 H new ATOM 0 HD12 ILE A 153 5.205 13.544 24.685 1.00 45.35 H new ATOM 0 HD13 ILE A 153 4.145 12.115 24.725 1.00 45.35 H new ATOM 2162 N THR A 154 2.354 14.571 19.351 1.00 43.15 N ATOM 2163 CA THR A 154 2.950 14.993 18.089 1.00 23.12 C ATOM 2164 C THR A 154 2.695 16.473 17.829 1.00 44.15 C ATOM 2165 O THR A 154 1.557 16.889 17.612 1.00 73.20 O ATOM 2166 CB THR A 154 2.401 14.173 16.906 1.00 3.04 C ATOM 2167 OG1 THR A 154 1.056 14.569 16.618 1.00 12.23 O ATOM 2168 CG2 THR A 154 2.442 12.684 17.215 1.00 32.01 C ATOM 0 H THR A 154 1.365 14.803 19.449 1.00 43.15 H new ATOM 0 HA THR A 154 4.023 14.821 18.173 1.00 23.12 H new ATOM 0 HB THR A 154 3.029 14.365 16.036 1.00 3.04 H new ATOM 0 HG1 THR A 154 0.801 15.311 17.205 1.00 12.23 H new ATOM 0 HG21 THR A 154 2.050 12.125 16.365 1.00 32.01 H new ATOM 0 HG22 THR A 154 3.471 12.380 17.405 1.00 32.01 H new ATOM 0 HG23 THR A 154 1.834 12.478 18.096 1.00 32.01 H new ATOM 2176 N CYS A 155 3.762 17.265 17.850 1.00 41.10 N ATOM 2177 CA CYS A 155 3.655 18.700 17.616 1.00 74.04 C ATOM 2178 C CYS A 155 3.911 19.032 16.148 1.00 2.35 C ATOM 2179 O CYS A 155 4.814 18.477 15.525 1.00 63.14 O ATOM 2180 CB CYS A 155 4.644 19.458 18.502 1.00 3.32 C ATOM 2181 SG CYS A 155 6.223 19.854 17.684 1.00 23.14 S ATOM 0 H CYS A 155 4.711 16.937 18.027 1.00 41.10 H new ATOM 0 HA CYS A 155 2.641 19.010 17.869 1.00 74.04 H new ATOM 0 HB2 CYS A 155 4.178 20.385 18.837 1.00 3.32 H new ATOM 0 HB3 CYS A 155 4.848 18.863 19.392 1.00 3.32 H new ATOM 0 HG CYS A 155 7.146 20.029 18.583 1.00 23.14 H new ATOM 2186 N ASN A 156 3.110 19.942 15.605 1.00 54.43 N ATOM 2187 CA ASN A 156 3.249 20.349 14.211 1.00 23.11 C ATOM 2188 C ASN A 156 3.890 21.730 14.109 1.00 64.42 C ATOM 2189 O ASN A 156 3.201 22.732 13.927 1.00 51.34 O ATOM 2190 CB ASN A 156 1.884 20.356 13.521 1.00 72.11 C ATOM 2191 CG ASN A 156 0.983 19.239 14.010 1.00 32.44 C ATOM 2192 OD1 ASN A 156 1.440 18.124 14.265 1.00 13.21 O ATOM 2193 ND2 ASN A 156 -0.305 19.533 14.144 1.00 52.02 N ATOM 0 H ASN A 156 2.358 20.412 16.109 1.00 54.43 H new ATOM 0 HA ASN A 156 3.897 19.629 13.711 1.00 23.11 H new ATOM 0 HB2 ASN A 156 1.397 21.315 13.696 1.00 72.11 H new ATOM 0 HB3 ASN A 156 2.024 20.261 12.444 1.00 72.11 H new ATOM 0 HD21 ASN A 156 -0.959 18.822 14.470 1.00 52.02 H new ATOM 0 HD22 ASN A 156 -0.640 20.470 13.921 1.00 52.02 H new ATOM 2200 N GLU A 157 5.214 21.772 14.227 1.00 32.20 N ATOM 2201 CA GLU A 157 5.947 23.030 14.148 1.00 64.50 C ATOM 2202 C GLU A 157 7.161 22.895 13.233 1.00 24.22 C ATOM 2203 O GLU A 157 7.068 22.343 12.137 1.00 74.22 O ATOM 2204 CB GLU A 157 6.393 23.474 15.543 1.00 52.34 C ATOM 2205 CG GLU A 157 6.591 24.976 15.668 1.00 33.44 C ATOM 2206 CD GLU A 157 7.510 25.349 16.815 1.00 32.23 C ATOM 2207 OE1 GLU A 157 7.313 26.433 17.404 1.00 61.23 O ATOM 2208 OE2 GLU A 157 8.425 24.558 17.124 1.00 23.12 O ATOM 0 H GLU A 157 5.800 20.951 14.377 1.00 32.20 H new ATOM 0 HA GLU A 157 5.280 23.784 13.730 1.00 64.50 H new ATOM 0 HB2 GLU A 157 5.650 23.152 16.273 1.00 52.34 H new ATOM 0 HB3 GLU A 157 7.326 22.970 15.795 1.00 52.34 H new ATOM 0 HG2 GLU A 157 7.003 25.363 14.736 1.00 33.44 H new ATOM 0 HG3 GLU A 157 5.623 25.456 15.812 1.00 33.44 H new ATOM 2215 N ASP A 158 8.300 23.404 13.692 1.00 75.50 N ATOM 2216 CA ASP A 158 9.533 23.340 12.916 1.00 12.23 C ATOM 2217 C ASP A 158 10.183 21.966 13.041 1.00 4.13 C ATOM 2218 O ASP A 158 11.327 21.769 12.630 1.00 44.51 O ATOM 2219 CB ASP A 158 10.508 24.424 13.379 1.00 32.14 C ATOM 2220 CG ASP A 158 11.321 24.998 12.236 1.00 61.11 C ATOM 2221 OD1 ASP A 158 12.563 25.048 12.358 1.00 42.44 O ATOM 2222 OD2 ASP A 158 10.716 25.396 11.219 1.00 33.30 O ATOM 0 H ASP A 158 8.394 23.865 14.597 1.00 75.50 H new ATOM 0 HA ASP A 158 9.284 23.510 11.868 1.00 12.23 H new ATOM 0 HB2 ASP A 158 9.951 25.226 13.864 1.00 32.14 H new ATOM 0 HB3 ASP A 158 11.182 24.007 14.127 1.00 32.14 H new ATOM 2227 N HIS A 159 9.447 21.018 13.613 1.00 44.22 N ATOM 2228 CA HIS A 159 9.953 19.662 13.793 1.00 70.14 C ATOM 2229 C HIS A 159 9.011 18.843 14.670 1.00 23.12 C ATOM 2230 O HIS A 159 8.189 19.381 15.412 1.00 42.42 O ATOM 2231 CB HIS A 159 11.350 19.694 14.414 1.00 35.22 C ATOM 2232 CG HIS A 159 11.519 20.761 15.451 1.00 45.42 C ATOM 2233 ND1 HIS A 159 10.563 21.046 16.402 1.00 32.43 N ATOM 2234 CD2 HIS A 159 12.544 21.615 15.683 1.00 22.31 C ATOM 2235 CE1 HIS A 159 10.991 22.029 17.174 1.00 72.21 C ATOM 2236 NE2 HIS A 159 12.191 22.392 16.759 1.00 60.12 N ATOM 0 H HIS A 159 8.499 21.164 13.960 1.00 44.22 H new ATOM 0 HA HIS A 159 10.011 19.189 12.813 1.00 70.14 H new ATOM 0 HB2 HIS A 159 11.561 18.724 14.864 1.00 35.22 H new ATOM 0 HB3 HIS A 159 12.086 19.846 13.625 1.00 35.22 H new ATOM 0 HD1 HIS A 159 9.665 20.572 16.495 1.00 32.43 H new ATOM 0 HD2 HIS A 159 13.467 21.674 15.126 1.00 22.31 H new ATOM 0 HE1 HIS A 159 10.451 22.462 18.003 1.00 72.21 H new ATOM 2244 N PRO A 160 9.132 17.510 14.585 1.00 33.31 N ATOM 2245 CA PRO A 160 8.299 16.588 15.364 1.00 3.32 C ATOM 2246 C PRO A 160 8.634 16.622 16.852 1.00 74.34 C ATOM 2247 O PRO A 160 9.793 16.481 17.241 1.00 3.31 O ATOM 2248 CB PRO A 160 8.636 15.218 14.771 1.00 2.01 C ATOM 2249 CG PRO A 160 10.004 15.377 14.203 1.00 2.02 C ATOM 2250 CD PRO A 160 10.090 16.799 13.722 1.00 2.11 C ATOM 0 HA PRO A 160 7.241 16.844 15.305 1.00 3.32 H new ATOM 0 HB2 PRO A 160 8.612 14.440 15.534 1.00 2.01 H new ATOM 0 HB3 PRO A 160 7.919 14.932 14.002 1.00 2.01 H new ATOM 0 HG2 PRO A 160 10.765 15.173 14.956 1.00 2.02 H new ATOM 0 HG3 PRO A 160 10.170 14.677 13.384 1.00 2.02 H new ATOM 0 HD2 PRO A 160 11.099 17.198 13.827 1.00 2.11 H new ATOM 0 HD3 PRO A 160 9.822 16.884 12.669 1.00 2.11 H new ATOM 2258 N CYS A 161 7.611 16.808 17.679 1.00 12.02 N ATOM 2259 CA CYS A 161 7.795 16.860 19.124 1.00 25.14 C ATOM 2260 C CYS A 161 6.538 16.390 19.851 1.00 43.14 C ATOM 2261 O CYS A 161 5.563 15.978 19.222 1.00 21.32 O ATOM 2262 CB CYS A 161 8.150 18.282 19.564 1.00 70.05 C ATOM 2263 SG CYS A 161 7.393 19.586 18.542 1.00 50.24 S ATOM 0 H CYS A 161 6.645 16.925 17.373 1.00 12.02 H new ATOM 0 HA CYS A 161 8.615 16.191 19.384 1.00 25.14 H new ATOM 0 HB2 CYS A 161 7.838 18.419 20.599 1.00 70.05 H new ATOM 0 HB3 CYS A 161 9.233 18.399 19.540 1.00 70.05 H new ATOM 0 HG CYS A 161 6.574 19.047 17.688 1.00 50.24 H new ATOM 2268 N TYR A 162 6.569 16.456 21.177 1.00 72.31 N ATOM 2269 CA TYR A 162 5.433 16.035 21.989 1.00 3.43 C ATOM 2270 C TYR A 162 4.407 17.157 22.113 1.00 0.43 C ATOM 2271 O TYR A 162 4.725 18.259 22.564 1.00 71.45 O ATOM 2272 CB TYR A 162 5.905 15.605 23.379 1.00 23.02 C ATOM 2273 CG TYR A 162 6.609 16.702 24.146 1.00 22.41 C ATOM 2274 CD1 TYR A 162 5.908 17.527 25.017 1.00 24.21 C ATOM 2275 CD2 TYR A 162 7.974 16.913 23.999 1.00 4.32 C ATOM 2276 CE1 TYR A 162 6.547 18.531 25.720 1.00 70.55 C ATOM 2277 CE2 TYR A 162 8.622 17.913 24.699 1.00 55.45 C ATOM 2278 CZ TYR A 162 7.904 18.720 25.557 1.00 34.52 C ATOM 2279 OH TYR A 162 8.544 19.718 26.255 1.00 63.14 O ATOM 0 H TYR A 162 7.368 16.797 21.712 1.00 72.31 H new ATOM 0 HA TYR A 162 4.959 15.187 21.495 1.00 3.43 H new ATOM 0 HB2 TYR A 162 5.045 15.264 23.956 1.00 23.02 H new ATOM 0 HB3 TYR A 162 6.579 14.754 23.278 1.00 23.02 H new ATOM 0 HD1 TYR A 162 4.846 17.381 25.147 1.00 24.21 H new ATOM 0 HD2 TYR A 162 8.539 16.285 23.326 1.00 4.32 H new ATOM 0 HE1 TYR A 162 5.987 19.164 26.393 1.00 70.55 H new ATOM 0 HE2 TYR A 162 9.684 18.062 24.575 1.00 55.45 H new ATOM 0 HH TYR A 162 9.497 19.717 26.028 1.00 63.14 H new ATOM 2289 N HIS A 163 3.173 16.869 21.711 1.00 43.22 N ATOM 2290 CA HIS A 163 2.098 17.853 21.777 1.00 21.44 C ATOM 2291 C HIS A 163 1.176 17.570 22.959 1.00 33.23 C ATOM 2292 O HIS A 163 1.176 18.303 23.948 1.00 33.43 O ATOM 2293 CB HIS A 163 1.295 17.850 20.476 1.00 32.14 C ATOM 2294 CG HIS A 163 1.077 19.217 19.904 1.00 32.24 C ATOM 2295 ND1 HIS A 163 2.046 20.197 19.908 1.00 41.52 N ATOM 2296 CD2 HIS A 163 -0.008 19.764 19.307 1.00 64.11 C ATOM 2297 CE1 HIS A 163 1.567 21.289 19.339 1.00 51.23 C ATOM 2298 NE2 HIS A 163 0.322 21.052 18.965 1.00 44.21 N ATOM 0 H HIS A 163 2.893 15.963 21.336 1.00 43.22 H new ATOM 0 HA HIS A 163 2.546 18.837 21.916 1.00 21.44 H new ATOM 0 HB2 HIS A 163 1.813 17.236 19.740 1.00 32.14 H new ATOM 0 HB3 HIS A 163 0.327 17.382 20.657 1.00 32.14 H new ATOM 0 HD2 HIS A 163 -0.956 19.278 19.132 1.00 64.11 H new ATOM 0 HE1 HIS A 163 2.102 22.217 19.203 1.00 51.23 H new ATOM 0 HE2 HIS A 163 -0.294 21.718 18.498 1.00 44.21 H new ATOM 2306 N SER A 164 0.390 16.503 22.849 1.00 43.11 N ATOM 2307 CA SER A 164 -0.540 16.126 23.906 1.00 13.44 C ATOM 2308 C SER A 164 -0.823 14.628 23.873 1.00 71.54 C ATOM 2309 O SER A 164 -0.047 13.850 23.316 1.00 11.41 O ATOM 2310 CB SER A 164 -1.848 16.907 23.766 1.00 75.04 C ATOM 2311 OG SER A 164 -2.688 16.323 22.785 1.00 60.31 O ATOM 0 H SER A 164 0.379 15.885 22.038 1.00 43.11 H new ATOM 0 HA SER A 164 -0.080 16.370 24.864 1.00 13.44 H new ATOM 0 HB2 SER A 164 -2.366 16.931 24.725 1.00 75.04 H new ATOM 0 HB3 SER A 164 -1.631 17.940 23.495 1.00 75.04 H new ATOM 0 HG SER A 164 -3.518 16.839 22.716 1.00 60.31 H new ATOM 2317 N TYR A 165 -1.939 14.229 24.472 1.00 15.11 N ATOM 2318 CA TYR A 165 -2.325 12.823 24.514 1.00 41.54 C ATOM 2319 C TYR A 165 -3.409 12.525 23.483 1.00 55.31 C ATOM 2320 O TYR A 165 -4.438 13.199 23.436 1.00 1.21 O ATOM 2321 CB TYR A 165 -2.818 12.449 25.912 1.00 13.43 C ATOM 2322 CG TYR A 165 -4.121 13.116 26.293 1.00 30.22 C ATOM 2323 CD1 TYR A 165 -5.335 12.464 26.116 1.00 32.20 C ATOM 2324 CD2 TYR A 165 -4.138 14.398 26.829 1.00 20.51 C ATOM 2325 CE1 TYR A 165 -6.528 13.069 26.462 1.00 71.21 C ATOM 2326 CE2 TYR A 165 -5.326 15.010 27.179 1.00 22.32 C ATOM 2327 CZ TYR A 165 -6.518 14.342 26.993 1.00 31.55 C ATOM 2328 OH TYR A 165 -7.704 14.948 27.340 1.00 44.54 O ATOM 0 H TYR A 165 -2.593 14.860 24.936 1.00 15.11 H new ATOM 0 HA TYR A 165 -1.446 12.224 24.274 1.00 41.54 H new ATOM 0 HB2 TYR A 165 -2.943 11.368 25.967 1.00 13.43 H new ATOM 0 HB3 TYR A 165 -2.054 12.719 26.642 1.00 13.43 H new ATOM 0 HD1 TYR A 165 -5.346 11.467 25.701 1.00 32.20 H new ATOM 0 HD2 TYR A 165 -3.207 14.925 26.974 1.00 20.51 H new ATOM 0 HE1 TYR A 165 -7.463 12.548 26.318 1.00 71.21 H new ATOM 0 HE2 TYR A 165 -5.321 16.006 27.596 1.00 22.32 H new ATOM 0 HH TYR A 165 -7.522 15.841 27.700 1.00 44.54 H new ATOM 2338 N GLU A 166 -3.171 11.510 22.659 1.00 65.30 N ATOM 2339 CA GLU A 166 -4.127 11.122 21.629 1.00 65.25 C ATOM 2340 C GLU A 166 -3.762 9.766 21.031 1.00 70.20 C ATOM 2341 O GLU A 166 -2.681 9.595 20.469 1.00 23.43 O ATOM 2342 CB GLU A 166 -4.178 12.180 20.525 1.00 52.41 C ATOM 2343 CG GLU A 166 -5.585 12.655 20.202 1.00 72.31 C ATOM 2344 CD GLU A 166 -5.634 14.122 19.824 1.00 43.40 C ATOM 2345 OE1 GLU A 166 -4.575 14.675 19.457 1.00 15.22 O ATOM 2346 OE2 GLU A 166 -6.729 14.718 19.895 1.00 3.11 O ATOM 0 H GLU A 166 -2.324 10.942 22.685 1.00 65.30 H new ATOM 0 HA GLU A 166 -5.110 11.043 22.093 1.00 65.25 H new ATOM 0 HB2 GLU A 166 -3.575 13.036 20.826 1.00 52.41 H new ATOM 0 HB3 GLU A 166 -3.725 11.772 19.621 1.00 52.41 H new ATOM 0 HG2 GLU A 166 -5.986 12.059 19.382 1.00 72.31 H new ATOM 0 HG3 GLU A 166 -6.229 12.484 21.065 1.00 72.31 H new ATOM 2353 N GLU A 167 -4.673 8.806 21.158 1.00 62.34 N ATOM 2354 CA GLU A 167 -4.446 7.465 20.631 1.00 34.35 C ATOM 2355 C GLU A 167 -4.097 7.515 19.147 1.00 72.42 C ATOM 2356 O GLU A 167 -4.980 7.493 18.289 1.00 14.44 O ATOM 2357 CB GLU A 167 -5.685 6.593 20.846 1.00 32.32 C ATOM 2358 CG GLU A 167 -6.980 7.257 20.411 1.00 54.40 C ATOM 2359 CD GLU A 167 -7.928 7.504 21.569 1.00 25.12 C ATOM 2360 OE1 GLU A 167 -7.440 7.785 22.684 1.00 22.41 O ATOM 2361 OE2 GLU A 167 -9.156 7.416 21.361 1.00 24.12 O ATOM 0 H GLU A 167 -5.574 8.931 21.620 1.00 62.34 H new ATOM 0 HA GLU A 167 -3.605 7.028 21.169 1.00 34.35 H new ATOM 0 HB2 GLU A 167 -5.562 5.660 20.296 1.00 32.32 H new ATOM 0 HB3 GLU A 167 -5.757 6.333 21.902 1.00 32.32 H new ATOM 0 HG2 GLU A 167 -6.752 8.205 19.925 1.00 54.40 H new ATOM 0 HG3 GLU A 167 -7.474 6.629 19.669 1.00 54.40 H new ATOM 2368 N ASP A 168 -2.804 7.581 18.851 1.00 2.54 N ATOM 2369 CA ASP A 168 -2.336 7.634 17.471 1.00 34.00 C ATOM 2370 C ASP A 168 -0.918 7.085 17.356 1.00 21.23 C ATOM 2371 O ASP A 168 -0.363 6.563 18.322 1.00 35.44 O ATOM 2372 CB ASP A 168 -2.384 9.071 16.948 1.00 33.52 C ATOM 2373 CG ASP A 168 -3.042 9.169 15.586 1.00 41.23 C ATOM 2374 OD1 ASP A 168 -2.526 9.920 14.731 1.00 73.44 O ATOM 2375 OD2 ASP A 168 -4.071 8.495 15.374 1.00 15.32 O ATOM 0 H ASP A 168 -2.060 7.599 19.549 1.00 2.54 H new ATOM 0 HA ASP A 168 -2.997 7.013 16.866 1.00 34.00 H new ATOM 0 HB2 ASP A 168 -2.928 9.695 17.657 1.00 33.52 H new ATOM 0 HB3 ASP A 168 -1.370 9.467 16.888 1.00 33.52 H new ATOM 2380 N GLY A 169 -0.336 7.206 16.167 1.00 60.12 N ATOM 2381 CA GLY A 169 1.012 6.716 15.947 1.00 23.03 C ATOM 2382 C GLY A 169 1.610 7.224 14.650 1.00 34.20 C ATOM 2383 O GLY A 169 0.889 7.680 13.763 1.00 75.15 O ATOM 0 H GLY A 169 -0.774 7.635 15.352 1.00 60.12 H new ATOM 0 HA2 GLY A 169 1.646 7.021 16.780 1.00 23.03 H new ATOM 0 HA3 GLY A 169 1.002 5.626 15.936 1.00 23.03 H new ATOM 2387 N VAL A 170 2.932 7.147 14.539 1.00 21.11 N ATOM 2388 CA VAL A 170 3.627 7.603 13.341 1.00 14.10 C ATOM 2389 C VAL A 170 3.043 6.959 12.089 1.00 60.24 C ATOM 2390 O VAL A 170 3.237 5.768 11.840 1.00 4.35 O ATOM 2391 CB VAL A 170 5.133 7.290 13.412 1.00 71.21 C ATOM 2392 CG1 VAL A 170 5.915 8.521 13.842 1.00 10.33 C ATOM 2393 CG2 VAL A 170 5.391 6.127 14.358 1.00 72.20 C ATOM 0 H VAL A 170 3.544 6.773 15.264 1.00 21.11 H new ATOM 0 HA VAL A 170 3.491 8.683 13.288 1.00 14.10 H new ATOM 0 HB VAL A 170 5.474 7.002 12.417 1.00 71.21 H new ATOM 0 HG11 VAL A 170 6.977 8.280 13.886 1.00 10.33 H new ATOM 0 HG12 VAL A 170 5.755 9.324 13.122 1.00 10.33 H new ATOM 0 HG13 VAL A 170 5.575 8.843 14.826 1.00 10.33 H new ATOM 0 HG21 VAL A 170 6.460 5.919 14.396 1.00 72.20 H new ATOM 0 HG22 VAL A 170 5.035 6.384 15.356 1.00 72.20 H new ATOM 0 HG23 VAL A 170 4.862 5.243 14.001 1.00 72.20 H new ATOM 2403 N THR A 171 2.326 7.754 11.300 1.00 60.50 N ATOM 2404 CA THR A 171 1.713 7.261 10.073 1.00 50.32 C ATOM 2405 C THR A 171 1.884 8.260 8.934 1.00 54.10 C ATOM 2406 O THR A 171 1.003 9.081 8.677 1.00 51.11 O ATOM 2407 CB THR A 171 0.212 6.976 10.270 1.00 41.12 C ATOM 2408 OG1 THR A 171 -0.300 7.770 11.345 1.00 14.35 O ATOM 2409 CG2 THR A 171 -0.025 5.502 10.563 1.00 3.43 C ATOM 0 H THR A 171 2.156 8.742 11.489 1.00 60.50 H new ATOM 0 HA THR A 171 2.221 6.331 9.817 1.00 50.32 H new ATOM 0 HB THR A 171 -0.309 7.235 9.348 1.00 41.12 H new ATOM 0 HG1 THR A 171 0.050 7.433 12.196 1.00 14.35 H new ATOM 0 HG21 THR A 171 -1.092 5.325 10.698 1.00 3.43 H new ATOM 0 HG22 THR A 171 0.339 4.902 9.729 1.00 3.43 H new ATOM 0 HG23 THR A 171 0.507 5.221 11.472 1.00 3.43 H new ATOM 2417 N LYS A 172 3.022 8.185 8.253 1.00 60.21 N ATOM 2418 CA LYS A 172 3.308 9.081 7.139 1.00 44.00 C ATOM 2419 C LYS A 172 4.444 8.535 6.279 1.00 34.40 C ATOM 2420 O LYS A 172 4.991 7.469 6.561 1.00 21.13 O ATOM 2421 CB LYS A 172 3.673 10.474 7.659 1.00 71.44 C ATOM 2422 CG LYS A 172 2.734 11.567 7.179 1.00 70.22 C ATOM 2423 CD LYS A 172 2.628 12.695 8.191 1.00 31.23 C ATOM 2424 CE LYS A 172 3.961 13.402 8.380 1.00 64.13 C ATOM 2425 NZ LYS A 172 3.785 14.855 8.652 1.00 51.44 N ATOM 0 H LYS A 172 3.762 7.512 8.453 1.00 60.21 H new ATOM 0 HA LYS A 172 2.411 9.152 6.523 1.00 44.00 H new ATOM 0 HB2 LYS A 172 3.671 10.458 8.749 1.00 71.44 H new ATOM 0 HB3 LYS A 172 4.689 10.715 7.345 1.00 71.44 H new ATOM 0 HG2 LYS A 172 3.091 11.963 6.228 1.00 70.22 H new ATOM 0 HG3 LYS A 172 1.745 11.145 6.998 1.00 70.22 H new ATOM 0 HD2 LYS A 172 1.878 13.413 7.860 1.00 31.23 H new ATOM 0 HD3 LYS A 172 2.288 12.297 9.147 1.00 31.23 H new ATOM 0 HE2 LYS A 172 4.503 12.941 9.206 1.00 64.13 H new ATOM 0 HE3 LYS A 172 4.571 13.271 7.486 1.00 64.13 H new ATOM 0 HZ1 LYS A 172 4.717 15.301 8.775 1.00 51.44 H new ATOM 0 HZ2 LYS A 172 3.291 15.300 7.853 1.00 51.44 H new ATOM 0 HZ3 LYS A 172 3.224 14.980 9.519 1.00 51.44 H new ATOM 2439 N SER A 173 4.793 9.272 5.230 1.00 50.11 N ATOM 2440 CA SER A 173 5.862 8.860 4.328 1.00 73.14 C ATOM 2441 C SER A 173 6.823 10.014 4.061 1.00 52.34 C ATOM 2442 O SER A 173 6.585 10.844 3.183 1.00 62.04 O ATOM 2443 CB SER A 173 5.277 8.353 3.008 1.00 33.20 C ATOM 2444 OG SER A 173 4.384 9.300 2.448 1.00 1.53 O ATOM 0 H SER A 173 4.351 10.158 4.984 1.00 50.11 H new ATOM 0 HA SER A 173 6.416 8.052 4.806 1.00 73.14 H new ATOM 0 HB2 SER A 173 6.084 8.149 2.304 1.00 33.20 H new ATOM 0 HB3 SER A 173 4.755 7.411 3.176 1.00 33.20 H new ATOM 0 HG SER A 173 4.788 10.192 2.484 1.00 1.53 H new ATOM 2450 N ASP A 174 7.909 10.060 4.824 1.00 13.23 N ATOM 2451 CA ASP A 174 8.908 11.112 4.671 1.00 75.31 C ATOM 2452 C ASP A 174 9.272 11.305 3.202 1.00 15.21 C ATOM 2453 O ASP A 174 9.114 12.396 2.652 1.00 60.21 O ATOM 2454 CB ASP A 174 10.161 10.776 5.480 1.00 63.41 C ATOM 2455 CG ASP A 174 11.286 11.765 5.243 1.00 75.30 C ATOM 2456 OD1 ASP A 174 11.006 12.870 4.734 1.00 40.42 O ATOM 2457 OD2 ASP A 174 12.445 11.433 5.568 1.00 52.45 O ATOM 0 H ASP A 174 8.121 9.381 5.555 1.00 13.23 H new ATOM 0 HA ASP A 174 8.482 12.042 5.047 1.00 75.31 H new ATOM 0 HB2 ASP A 174 9.912 10.761 6.541 1.00 63.41 H new ATOM 0 HB3 ASP A 174 10.501 9.774 5.218 1.00 63.41 H new ATOM 2462 N CYS A 175 9.759 10.241 2.574 1.00 43.41 N ATOM 2463 CA CYS A 175 10.148 10.295 1.169 1.00 72.41 C ATOM 2464 C CYS A 175 10.703 8.951 0.707 1.00 10.21 C ATOM 2465 O CYS A 175 10.542 7.936 1.384 1.00 31.22 O ATOM 2466 CB CYS A 175 11.188 11.394 0.947 1.00 21.52 C ATOM 2467 SG CYS A 175 10.845 12.459 -0.473 1.00 65.31 S ATOM 0 H CYS A 175 9.894 9.331 3.015 1.00 43.41 H new ATOM 0 HA CYS A 175 9.260 10.523 0.580 1.00 72.41 H new ATOM 0 HB2 CYS A 175 11.247 12.010 1.844 1.00 21.52 H new ATOM 0 HB3 CYS A 175 12.166 10.932 0.813 1.00 21.52 H new ATOM 0 HG CYS A 175 11.778 13.358 -0.577 1.00 65.31 H new ATOM 2473 N ASP A 176 11.355 8.953 -0.450 1.00 44.11 N ATOM 2474 CA ASP A 176 11.934 7.734 -1.003 1.00 42.35 C ATOM 2475 C ASP A 176 13.387 7.959 -1.411 1.00 21.13 C ATOM 2476 O ASP A 176 13.875 7.353 -2.365 1.00 64.50 O ATOM 2477 CB ASP A 176 11.121 7.260 -2.209 1.00 22.10 C ATOM 2478 CG ASP A 176 10.906 8.359 -3.231 1.00 32.12 C ATOM 2479 OD1 ASP A 176 9.854 8.346 -3.904 1.00 70.43 O ATOM 2480 OD2 ASP A 176 11.789 9.233 -3.356 1.00 73.14 O ATOM 0 H ASP A 176 11.496 9.785 -1.023 1.00 44.11 H new ATOM 0 HA ASP A 176 11.907 6.965 -0.231 1.00 42.35 H new ATOM 0 HB2 ASP A 176 11.634 6.423 -2.683 1.00 22.10 H new ATOM 0 HB3 ASP A 176 10.154 6.890 -1.869 1.00 22.10 H new ATOM 2485 N CYS A 177 14.072 8.834 -0.682 1.00 74.33 N ATOM 2486 CA CYS A 177 15.469 9.140 -0.969 1.00 14.11 C ATOM 2487 C CYS A 177 16.348 8.850 0.243 1.00 65.23 C ATOM 2488 O CYS A 177 15.853 8.477 1.306 1.00 43.23 O ATOM 2489 CB CYS A 177 15.617 10.605 -1.383 1.00 34.14 C ATOM 2490 SG CYS A 177 16.782 10.875 -2.739 1.00 34.12 S ATOM 0 H CYS A 177 13.683 9.343 0.111 1.00 74.33 H new ATOM 0 HA CYS A 177 15.794 8.503 -1.792 1.00 14.11 H new ATOM 0 HB2 CYS A 177 14.640 10.989 -1.676 1.00 34.14 H new ATOM 0 HB3 CYS A 177 15.941 11.185 -0.519 1.00 34.14 H new ATOM 0 HG CYS A 177 16.837 12.143 -3.018 1.00 34.12 H new ATOM 2496 N GLU A 178 17.656 9.022 0.073 1.00 32.40 N ATOM 2497 CA GLU A 178 18.604 8.775 1.153 1.00 43.22 C ATOM 2498 C GLU A 178 18.142 9.441 2.446 1.00 42.45 C ATOM 2499 O GLU A 178 18.239 10.660 2.598 1.00 30.55 O ATOM 2500 CB GLU A 178 19.993 9.290 0.769 1.00 41.31 C ATOM 2501 CG GLU A 178 21.127 8.565 1.474 1.00 44.44 C ATOM 2502 CD GLU A 178 21.460 9.174 2.822 1.00 33.22 C ATOM 2503 OE1 GLU A 178 22.336 8.623 3.521 1.00 43.11 O ATOM 2504 OE2 GLU A 178 20.844 10.200 3.179 1.00 33.40 O ATOM 0 H GLU A 178 18.082 9.331 -0.801 1.00 32.40 H new ATOM 0 HA GLU A 178 18.656 7.699 1.318 1.00 43.22 H new ATOM 0 HB2 GLU A 178 20.123 9.190 -0.309 1.00 41.31 H new ATOM 0 HB3 GLU A 178 20.054 10.354 1.000 1.00 41.31 H new ATOM 0 HG2 GLU A 178 20.855 7.518 1.610 1.00 44.44 H new ATOM 0 HG3 GLU A 178 22.014 8.585 0.841 1.00 44.44 H new ATOM 2511 N HIS A 179 17.639 8.634 3.374 1.00 71.45 N ATOM 2512 CA HIS A 179 17.161 9.144 4.654 1.00 64.12 C ATOM 2513 C HIS A 179 18.300 9.222 5.666 1.00 1.52 C ATOM 2514 O HIS A 179 18.782 10.308 5.990 1.00 32.11 O ATOM 2515 CB HIS A 179 16.042 8.254 5.196 1.00 40.53 C ATOM 2516 CG HIS A 179 14.687 8.603 4.660 1.00 4.44 C ATOM 2517 ND1 HIS A 179 14.490 9.532 3.660 1.00 73.51 N ATOM 2518 CD2 HIS A 179 13.459 8.141 4.991 1.00 11.30 C ATOM 2519 CE1 HIS A 179 13.198 9.626 3.400 1.00 41.55 C ATOM 2520 NE2 HIS A 179 12.551 8.793 4.193 1.00 34.24 N ATOM 0 H HIS A 179 17.552 7.624 3.264 1.00 71.45 H new ATOM 0 HA HIS A 179 16.770 10.149 4.494 1.00 64.12 H new ATOM 0 HB2 HIS A 179 16.264 7.215 4.951 1.00 40.53 H new ATOM 0 HB3 HIS A 179 16.024 8.328 6.283 1.00 40.53 H new ATOM 0 HD1 HIS A 179 15.226 10.063 3.194 1.00 73.51 H new ATOM 0 HD2 HIS A 179 13.235 7.398 5.742 1.00 11.30 H new ATOM 0 HE1 HIS A 179 12.748 10.275 2.663 1.00 41.55 H new ATOM 2528 N SER A 180 18.725 8.065 6.163 1.00 51.11 N ATOM 2529 CA SER A 180 19.804 8.003 7.142 1.00 53.30 C ATOM 2530 C SER A 180 19.435 8.773 8.406 1.00 15.24 C ATOM 2531 O SER A 180 20.033 9.796 8.738 1.00 5.51 O ATOM 2532 CB SER A 180 21.095 8.568 6.546 1.00 33.01 C ATOM 2533 OG SER A 180 22.231 8.086 7.242 1.00 1.11 O ATOM 0 H SER A 180 18.338 7.157 5.904 1.00 51.11 H new ATOM 0 HA SER A 180 19.962 6.957 7.407 1.00 53.30 H new ATOM 0 HB2 SER A 180 21.165 8.292 5.494 1.00 33.01 H new ATOM 0 HB3 SER A 180 21.073 9.657 6.589 1.00 33.01 H new ATOM 0 HG SER A 180 23.043 8.460 6.841 1.00 1.11 H new ATOM 2539 N PRO A 181 18.423 8.270 9.130 1.00 5.42 N ATOM 2540 CA PRO A 181 17.951 8.894 10.370 1.00 72.21 C ATOM 2541 C PRO A 181 18.959 8.762 11.506 1.00 3.11 C ATOM 2542 O PRO A 181 19.641 7.745 11.630 1.00 52.35 O ATOM 2543 CB PRO A 181 16.674 8.114 10.695 1.00 64.11 C ATOM 2544 CG PRO A 181 16.862 6.790 10.039 1.00 60.34 C ATOM 2545 CD PRO A 181 17.664 7.054 8.795 1.00 42.15 C ATOM 0 HA PRO A 181 17.794 9.966 10.253 1.00 72.21 H new ATOM 0 HB2 PRO A 181 16.539 8.007 11.771 1.00 64.11 H new ATOM 0 HB3 PRO A 181 15.790 8.624 10.312 1.00 64.11 H new ATOM 0 HG2 PRO A 181 17.384 6.098 10.700 1.00 60.34 H new ATOM 0 HG3 PRO A 181 15.902 6.336 9.795 1.00 60.34 H new ATOM 0 HD2 PRO A 181 18.325 6.220 8.559 1.00 42.15 H new ATOM 0 HD3 PRO A 181 17.022 7.207 7.928 1.00 42.15 H new ATOM 2553 N GLY A 182 19.049 9.798 12.335 1.00 32.22 N ATOM 2554 CA GLY A 182 19.977 9.777 13.451 1.00 74.02 C ATOM 2555 C GLY A 182 19.298 10.068 14.775 1.00 60.23 C ATOM 2556 O GLY A 182 18.184 10.590 14.824 1.00 21.23 O ATOM 0 H GLY A 182 18.496 10.651 12.254 1.00 32.22 H new ATOM 0 HA2 GLY A 182 20.459 8.801 13.500 1.00 74.02 H new ATOM 0 HA3 GLY A 182 20.763 10.512 13.280 1.00 74.02 H new ATOM 2560 N PRO A 183 19.976 9.724 15.880 1.00 42.32 N ATOM 2561 CA PRO A 183 19.450 9.941 17.231 1.00 43.22 C ATOM 2562 C PRO A 183 19.400 11.419 17.603 1.00 52.22 C ATOM 2563 O PRO A 183 20.143 12.233 17.055 1.00 65.33 O ATOM 2564 CB PRO A 183 20.448 9.199 18.123 1.00 2.03 C ATOM 2565 CG PRO A 183 21.716 9.181 17.341 1.00 73.13 C ATOM 2566 CD PRO A 183 21.309 9.098 15.895 1.00 11.14 C ATOM 0 HA PRO A 183 18.424 9.588 17.330 1.00 43.22 H new ATOM 0 HB2 PRO A 183 20.579 9.708 19.078 1.00 2.03 H new ATOM 0 HB3 PRO A 183 20.105 8.188 18.345 1.00 2.03 H new ATOM 0 HG2 PRO A 183 22.304 10.079 17.530 1.00 73.13 H new ATOM 0 HG3 PRO A 183 22.336 8.329 17.622 1.00 73.13 H new ATOM 0 HD2 PRO A 183 22.009 9.628 15.249 1.00 11.14 H new ATOM 0 HD3 PRO A 183 21.272 8.066 15.546 1.00 11.14 H new ATOM 2574 N SER A 184 18.518 11.760 18.538 1.00 65.43 N ATOM 2575 CA SER A 184 18.369 13.141 18.981 1.00 71.15 C ATOM 2576 C SER A 184 18.752 13.285 20.450 1.00 33.44 C ATOM 2577 O SER A 184 19.336 14.289 20.855 1.00 53.33 O ATOM 2578 CB SER A 184 16.930 13.614 18.768 1.00 34.20 C ATOM 2579 OG SER A 184 16.504 14.446 19.833 1.00 35.53 O ATOM 0 H SER A 184 17.896 11.099 19.003 1.00 65.43 H new ATOM 0 HA SER A 184 19.040 13.762 18.387 1.00 71.15 H new ATOM 0 HB2 SER A 184 16.858 14.158 17.826 1.00 34.20 H new ATOM 0 HB3 SER A 184 16.268 12.751 18.689 1.00 34.20 H new ATOM 0 HG SER A 184 15.582 14.736 19.673 1.00 35.53 H new ATOM 2585 N GLU A 185 18.417 12.272 21.244 1.00 25.12 N ATOM 2586 CA GLU A 185 18.725 12.286 22.669 1.00 23.35 C ATOM 2587 C GLU A 185 20.229 12.407 22.900 1.00 32.33 C ATOM 2588 O GLU A 185 20.740 12.011 23.948 1.00 55.24 O ATOM 2589 CB GLU A 185 18.196 11.017 23.341 1.00 73.35 C ATOM 2590 CG GLU A 185 17.325 11.289 24.556 1.00 72.34 C ATOM 2591 CD GLU A 185 18.132 11.437 25.830 1.00 1.55 C ATOM 2592 OE1 GLU A 185 18.767 10.447 26.249 1.00 63.33 O ATOM 2593 OE2 GLU A 185 18.129 12.544 26.410 1.00 72.51 O ATOM 0 H GLU A 185 17.933 11.433 20.925 1.00 25.12 H new ATOM 0 HA GLU A 185 18.236 13.154 23.111 1.00 23.35 H new ATOM 0 HB2 GLU A 185 17.621 10.443 22.614 1.00 73.35 H new ATOM 0 HB3 GLU A 185 19.040 10.396 23.641 1.00 73.35 H new ATOM 0 HG2 GLU A 185 16.748 12.198 24.388 1.00 72.34 H new ATOM 0 HG3 GLU A 185 16.610 10.475 24.676 1.00 72.34 H new TER 2600 GLU A 185