USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 903 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: B 123 ASN :FLIP amide:sc= -0.0831 F(o=-4.5,f=-3.7) USER MOD Set 1.2: B 126 GLN : amide:sc= -3.68! C(o=-3.7!,f=-5.7!) USER MOD Set 1.3: B 155 GLN :FLIP amide:sc= 0.057 F(o=-4.3,f=-3.7) USER MOD Set 2.1: A 28 ASN :FLIP amide:sc= -1.6 F(o=-2.3,f=-0.98) USER MOD Set 2.2: B 132 SER OG : rot -71:sc= 0.615 USER MOD Set 3.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 40 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.047) USER MOD Set 4.1: A 23 ASN :FLIP amide:sc= -0.163 F(o=-2.6,f=-1.5) USER MOD Set 4.2: A 26 GLN :FLIP amide:sc= -0.958 F(o=-6.2,f=-1.5) USER MOD Set 4.3: A 55 GLN : amide:sc= -0.391 K(o=-1.5,f=-6.2) USER MOD Set 5.1: A 10 GLN : amide:sc= -0.816 X(o=-1.8,f=-1.4) USER MOD Set 5.2: A 14 TYR OH : rot -9:sc= -0.98 USER MOD Single : A 1 VAL N :NH3+ 136:sc= -0.0209 (180deg=-0.212) USER MOD Single : A 3 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.33) USER MOD Single : A 4 LYS NZ :NH3+ -168:sc= -0.0218 (180deg=-0.16) USER MOD Single : A 6 ASN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -6.35! C(o=-6.3!,f=-9.5!) USER MOD Single : A 11 ASN : amide:sc= -3.36! C(o=-3.4!,f=-5.4!) USER MOD Single : A 18 HIS : no HD1:sc= -0.164 X(o=-0.16,f=0.027) USER MOD Single : A 21 ASN : amide:sc= -0.873 X(o=-0.87,f=-1.1) USER MOD Single : A 32 GLN :FLIP amide:sc= -2.13! C(o=-3.8!,f=-2.1!) USER MOD Single : A 33 SER OG : rot 150:sc= -0.252 USER MOD Single : A 35 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.0295) USER MOD Single : A 41 SER OG : rot -95:sc= 0.35 USER MOD Single : A 43 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= -0.0411 (180deg=-0.32) USER MOD Single : A 52 ASN : amide:sc= -2.63 K(o=-2.6,f=-13!) USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= -0.0612 (180deg=-0.328) USER MOD Single : B 103 ASN : amide:sc= -0.373 X(o=-0.37,f=0) USER MOD Single : B 104 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0095) USER MOD Single : B 106 ASN : amide:sc= -0.0786 X(o=-0.079,f=-0.079) USER MOD Single : B 107 LYS NZ :NH3+ 164:sc= -0.0799 (180deg=-0.416) USER MOD Single : B 109 THR OG1 : rot 150:sc= -0.393 USER MOD Single : B 110 GLN : amide:sc= -1.1 K(o=-1.1,f=-3.1!) USER MOD Single : B 113 SER OG : rot 82:sc= 0.0834 USER MOD Single : B 118 THR OG1 : rot -12:sc= 0.719 USER MOD Single : B 121 ASN : amide:sc= -2.69 K(o=-2.7,f=-3.7!) USER MOD Single : B 133 SER OG : rot 160:sc= -0.0609 USER MOD Single : B 139 SER OG : rot 180:sc= 0 USER MOD Single : B 140 GLN :FLIP amide:sc= -5.27! C(o=-6.7!,f=-5.3!) USER MOD Single : B 141 SER OG : rot 180:sc= -0.843 USER MOD Single : B 143 ASN :FLIP amide:sc= -0.0159 F(o=-1.9!,f=-0.016) USER MOD Single : B 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 152 ASN : amide:sc= -5.33! C(o=-5.3!,f=-15!) USER MOD Single : B 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -13.588 -5.234 11.156 1.00 6.84 N ATOM 2 CA VAL A 1 -13.487 -6.677 10.820 1.00 6.39 C ATOM 3 C VAL A 1 -12.257 -6.957 9.961 1.00 5.45 C ATOM 4 O VAL A 1 -11.890 -6.152 9.104 1.00 5.57 O ATOM 5 CB VAL A 1 -14.747 -7.165 10.075 1.00 7.06 C ATOM 6 CG1 VAL A 1 -14.918 -6.417 8.761 1.00 7.37 C ATOM 7 CG2 VAL A 1 -14.686 -8.666 9.838 1.00 7.36 C ATOM 0 H1 VAL A 1 -14.571 -4.918 11.036 1.00 6.84 H new ATOM 0 H2 VAL A 1 -13.295 -5.086 12.143 1.00 6.84 H new ATOM 0 H3 VAL A 1 -12.969 -4.686 10.525 1.00 6.84 H new ATOM 0 HA VAL A 1 -13.397 -7.219 11.761 1.00 6.39 H new ATOM 0 HB VAL A 1 -15.615 -6.956 10.701 1.00 7.06 H new ATOM 0 HG11 VAL A 1 -15.812 -6.776 8.252 1.00 7.37 H new ATOM 0 HG12 VAL A 1 -15.018 -5.350 8.960 1.00 7.37 H new ATOM 0 HG13 VAL A 1 -14.047 -6.588 8.129 1.00 7.37 H new ATOM 0 HG21 VAL A 1 -15.584 -8.988 9.311 1.00 7.36 H new ATOM 0 HG22 VAL A 1 -13.808 -8.904 9.237 1.00 7.36 H new ATOM 0 HG23 VAL A 1 -14.622 -9.183 10.795 1.00 7.36 H new ATOM 19 N ASP A 2 -11.622 -8.101 10.198 1.00 4.87 N ATOM 20 CA ASP A 2 -10.433 -8.487 9.446 1.00 4.23 C ATOM 21 C ASP A 2 -10.571 -9.904 8.897 1.00 3.33 C ATOM 22 O ASP A 2 -11.268 -10.740 9.474 1.00 3.72 O ATOM 23 CB ASP A 2 -9.191 -8.388 10.333 1.00 5.03 C ATOM 24 CG ASP A 2 -8.954 -6.980 10.841 1.00 5.73 C ATOM 25 OD1 ASP A 2 -9.520 -6.627 11.897 1.00 6.23 O ATOM 26 OD2 ASP A 2 -8.205 -6.229 10.182 1.00 6.07 O ATOM 0 H ASP A 2 -11.911 -8.777 10.905 1.00 4.87 H new ATOM 0 HA ASP A 2 -10.326 -7.802 8.605 1.00 4.23 H new ATOM 0 HB2 ASP A 2 -9.299 -9.064 11.181 1.00 5.03 H new ATOM 0 HB3 ASP A 2 -8.319 -8.720 9.770 1.00 5.03 H new ATOM 31 N ASN A 3 -9.900 -10.165 7.778 1.00 2.66 N ATOM 32 CA ASN A 3 -9.944 -11.476 7.147 1.00 2.31 C ATOM 33 C ASN A 3 -8.572 -11.859 6.602 1.00 1.47 C ATOM 34 O ASN A 3 -7.885 -12.711 7.165 1.00 2.12 O ATOM 35 CB ASN A 3 -10.977 -11.488 6.017 1.00 2.82 C ATOM 36 CG ASN A 3 -12.295 -10.865 6.432 1.00 3.16 C ATOM 37 OD1 ASN A 3 -13.191 -11.549 6.926 1.00 3.78 O ATOM 38 ND2 ASN A 3 -12.418 -9.558 6.230 1.00 3.18 N ATOM 0 H ASN A 3 -9.319 -9.483 7.291 1.00 2.66 H new ATOM 0 HA ASN A 3 -10.235 -12.207 7.901 1.00 2.31 H new ATOM 0 HB2 ASN A 3 -10.578 -10.949 5.158 1.00 2.82 H new ATOM 0 HB3 ASN A 3 -11.149 -12.516 5.697 1.00 2.82 H new ATOM 0 HD21 ASN A 3 -13.282 -9.081 6.488 1.00 3.18 H new ATOM 0 HD22 ASN A 3 -11.648 -9.031 5.817 1.00 3.18 H new ATOM 45 N LYS A 4 -8.182 -11.223 5.503 1.00 0.80 N ATOM 46 CA LYS A 4 -6.889 -11.485 4.880 1.00 1.31 C ATOM 47 C LYS A 4 -5.895 -10.390 5.244 1.00 1.28 C ATOM 48 O LYS A 4 -4.696 -10.512 4.995 1.00 2.13 O ATOM 49 CB LYS A 4 -7.041 -11.562 3.361 1.00 2.13 C ATOM 50 CG LYS A 4 -8.076 -12.576 2.900 1.00 2.28 C ATOM 51 CD LYS A 4 -8.120 -12.684 1.382 1.00 3.10 C ATOM 52 CE LYS A 4 -8.562 -11.379 0.735 1.00 3.72 C ATOM 53 NZ LYS A 4 -9.946 -11.001 1.133 1.00 4.09 N ATOM 0 H LYS A 4 -8.744 -10.520 5.024 1.00 0.80 H new ATOM 0 HA LYS A 4 -6.514 -12.440 5.249 1.00 1.31 H new ATOM 0 HB2 LYS A 4 -7.316 -10.578 2.982 1.00 2.13 H new ATOM 0 HB3 LYS A 4 -6.076 -11.815 2.921 1.00 2.13 H new ATOM 0 HG2 LYS A 4 -7.846 -13.552 3.328 1.00 2.28 H new ATOM 0 HG3 LYS A 4 -9.059 -12.288 3.273 1.00 2.28 H new ATOM 0 HD2 LYS A 4 -7.134 -12.959 1.008 1.00 3.10 H new ATOM 0 HD3 LYS A 4 -8.804 -13.482 1.094 1.00 3.10 H new ATOM 0 HE2 LYS A 4 -7.873 -10.583 1.017 1.00 3.72 H new ATOM 0 HE3 LYS A 4 -8.510 -11.476 -0.349 1.00 3.72 H new ATOM 0 HZ1 LYS A 4 -10.284 -10.229 0.524 1.00 4.09 H new ATOM 0 HZ2 LYS A 4 -10.574 -11.823 1.029 1.00 4.09 H new ATOM 0 HZ3 LYS A 4 -9.948 -10.687 2.124 1.00 4.09 H new ATOM 67 N PHE A 5 -6.411 -9.321 5.839 1.00 0.53 N ATOM 68 CA PHE A 5 -5.591 -8.189 6.245 1.00 0.42 C ATOM 69 C PHE A 5 -5.114 -8.370 7.682 1.00 0.40 C ATOM 70 O PHE A 5 -5.228 -7.462 8.507 1.00 0.49 O ATOM 71 CB PHE A 5 -6.386 -6.887 6.114 1.00 0.34 C ATOM 72 CG PHE A 5 -7.106 -6.748 4.800 1.00 0.33 C ATOM 73 CD1 PHE A 5 -6.402 -6.484 3.634 1.00 0.37 C ATOM 74 CD2 PHE A 5 -8.484 -6.880 4.730 1.00 0.35 C ATOM 75 CE1 PHE A 5 -7.060 -6.356 2.425 1.00 0.40 C ATOM 76 CE2 PHE A 5 -9.148 -6.751 3.523 1.00 0.39 C ATOM 77 CZ PHE A 5 -8.439 -6.493 2.372 1.00 0.40 C ATOM 0 H PHE A 5 -7.403 -9.216 6.052 1.00 0.53 H new ATOM 0 HA PHE A 5 -4.720 -8.137 5.591 1.00 0.42 H new ATOM 0 HB2 PHE A 5 -7.113 -6.832 6.924 1.00 0.34 H new ATOM 0 HB3 PHE A 5 -5.707 -6.043 6.237 1.00 0.34 H new ATOM 0 HD1 PHE A 5 -5.328 -6.377 3.671 1.00 0.37 H new ATOM 0 HD2 PHE A 5 -9.046 -7.086 5.629 1.00 0.35 H new ATOM 0 HE1 PHE A 5 -6.501 -6.150 1.524 1.00 0.40 H new ATOM 0 HE2 PHE A 5 -10.222 -6.853 3.484 1.00 0.39 H new ATOM 0 HZ PHE A 5 -8.956 -6.397 1.429 1.00 0.40 H new ATOM 87 N ASN A 6 -4.584 -9.553 7.968 1.00 0.35 N ATOM 88 CA ASN A 6 -4.093 -9.880 9.302 1.00 0.37 C ATOM 89 C ASN A 6 -2.942 -8.967 9.722 1.00 0.37 C ATOM 90 O ASN A 6 -2.641 -7.978 9.054 1.00 0.36 O ATOM 91 CB ASN A 6 -3.648 -11.342 9.342 1.00 0.36 C ATOM 92 CG ASN A 6 -4.802 -12.292 9.597 1.00 0.97 C ATOM 93 OD1 ASN A 6 -5.120 -12.609 10.743 1.00 1.73 O ATOM 94 ND2 ASN A 6 -5.435 -12.754 8.525 1.00 1.69 N ATOM 0 H ASN A 6 -4.483 -10.307 7.289 1.00 0.35 H new ATOM 0 HA ASN A 6 -4.908 -9.725 10.009 1.00 0.37 H new ATOM 0 HB2 ASN A 6 -3.171 -11.600 8.396 1.00 0.36 H new ATOM 0 HB3 ASN A 6 -2.897 -11.469 10.122 1.00 0.36 H new ATOM 0 HD21 ASN A 6 -6.218 -13.398 8.633 1.00 1.69 H new ATOM 0 HD22 ASN A 6 -5.138 -12.465 7.593 1.00 1.69 H new ATOM 101 N LYS A 7 -2.300 -9.313 10.835 1.00 0.40 N ATOM 102 CA LYS A 7 -1.190 -8.525 11.362 1.00 0.43 C ATOM 103 C LYS A 7 -0.011 -8.513 10.397 1.00 0.40 C ATOM 104 O LYS A 7 0.449 -7.450 9.981 1.00 0.38 O ATOM 105 CB LYS A 7 -0.749 -9.075 12.722 1.00 0.52 C ATOM 106 CG LYS A 7 0.354 -8.268 13.384 1.00 0.58 C ATOM 107 CD LYS A 7 -0.073 -6.833 13.637 1.00 0.60 C ATOM 108 CE LYS A 7 1.101 -5.987 14.085 1.00 1.39 C ATOM 109 NZ LYS A 7 1.535 -6.321 15.469 1.00 1.90 N ATOM 0 H LYS A 7 -2.531 -10.137 11.391 1.00 0.40 H new ATOM 0 HA LYS A 7 -1.537 -7.499 11.485 1.00 0.43 H new ATOM 0 HB2 LYS A 7 -1.612 -9.107 13.387 1.00 0.52 H new ATOM 0 HB3 LYS A 7 -0.407 -10.102 12.594 1.00 0.52 H new ATOM 0 HG2 LYS A 7 0.631 -8.737 14.328 1.00 0.58 H new ATOM 0 HG3 LYS A 7 1.241 -8.277 12.751 1.00 0.58 H new ATOM 0 HD2 LYS A 7 -0.503 -6.412 12.728 1.00 0.60 H new ATOM 0 HD3 LYS A 7 -0.853 -6.811 14.398 1.00 0.60 H new ATOM 0 HE2 LYS A 7 1.935 -6.133 13.399 1.00 1.39 H new ATOM 0 HE3 LYS A 7 0.828 -4.933 14.035 1.00 1.39 H new ATOM 0 HZ1 LYS A 7 2.340 -5.719 15.735 1.00 1.90 H new ATOM 0 HZ2 LYS A 7 0.748 -6.158 16.129 1.00 1.90 H new ATOM 0 HZ3 LYS A 7 1.821 -7.320 15.512 1.00 1.90 H new ATOM 123 N GLU A 8 0.477 -9.700 10.045 1.00 0.43 N ATOM 124 CA GLU A 8 1.606 -9.823 9.129 1.00 0.43 C ATOM 125 C GLU A 8 1.327 -9.100 7.818 1.00 0.37 C ATOM 126 O GLU A 8 2.247 -8.627 7.152 1.00 0.39 O ATOM 127 CB GLU A 8 1.914 -11.296 8.860 1.00 0.47 C ATOM 128 CG GLU A 8 2.234 -12.088 10.116 1.00 0.52 C ATOM 129 CD GLU A 8 2.500 -13.554 9.831 1.00 1.03 C ATOM 130 OE1 GLU A 8 3.664 -13.901 9.542 1.00 1.80 O ATOM 131 OE2 GLU A 8 1.543 -14.354 9.897 1.00 0.95 O ATOM 0 H GLU A 8 0.108 -10.590 10.381 1.00 0.43 H new ATOM 0 HA GLU A 8 2.473 -9.359 9.598 1.00 0.43 H new ATOM 0 HB2 GLU A 8 1.059 -11.752 8.360 1.00 0.47 H new ATOM 0 HB3 GLU A 8 2.758 -11.363 8.173 1.00 0.47 H new ATOM 0 HG2 GLU A 8 3.107 -11.652 10.603 1.00 0.52 H new ATOM 0 HG3 GLU A 8 1.403 -12.003 10.816 1.00 0.52 H new ATOM 138 N GLN A 9 0.052 -9.016 7.455 1.00 0.34 N ATOM 139 CA GLN A 9 -0.343 -8.341 6.224 1.00 0.33 C ATOM 140 C GLN A 9 -0.250 -6.831 6.402 1.00 0.30 C ATOM 141 O GLN A 9 0.050 -6.098 5.459 1.00 0.32 O ATOM 142 CB GLN A 9 -1.765 -8.737 5.830 1.00 0.36 C ATOM 143 CG GLN A 9 -1.925 -9.018 4.347 1.00 0.38 C ATOM 144 CD GLN A 9 -3.049 -8.222 3.719 1.00 0.73 C ATOM 145 OE1 GLN A 9 -3.341 -7.101 4.134 1.00 1.44 O ATOM 146 NE2 GLN A 9 -3.690 -8.804 2.714 1.00 0.50 N ATOM 0 H GLN A 9 -0.723 -9.405 7.993 1.00 0.34 H new ATOM 0 HA GLN A 9 0.336 -8.646 5.427 1.00 0.33 H new ATOM 0 HB2 GLN A 9 -2.056 -9.623 6.393 1.00 0.36 H new ATOM 0 HB3 GLN A 9 -2.449 -7.938 6.116 1.00 0.36 H new ATOM 0 HG2 GLN A 9 -0.991 -8.786 3.835 1.00 0.38 H new ATOM 0 HG3 GLN A 9 -2.113 -10.082 4.201 1.00 0.38 H new ATOM 0 HE21 GLN A 9 -3.413 -9.735 2.403 1.00 0.50 H new ATOM 0 HE22 GLN A 9 -4.460 -8.320 2.252 1.00 0.50 H new ATOM 155 N GLN A 10 -0.509 -6.377 7.625 1.00 0.27 N ATOM 156 CA GLN A 10 -0.450 -4.959 7.952 1.00 0.25 C ATOM 157 C GLN A 10 0.998 -4.491 7.965 1.00 0.23 C ATOM 158 O GLN A 10 1.352 -3.502 7.326 1.00 0.26 O ATOM 159 CB GLN A 10 -1.090 -4.711 9.320 1.00 0.26 C ATOM 160 CG GLN A 10 -1.738 -3.344 9.459 1.00 0.26 C ATOM 161 CD GLN A 10 -1.776 -2.859 10.895 1.00 0.64 C ATOM 162 OE1 GLN A 10 -1.818 -3.657 11.832 1.00 1.18 O ATOM 163 NE2 GLN A 10 -1.773 -1.543 11.076 1.00 0.89 N ATOM 0 H GLN A 10 -0.763 -6.977 8.410 1.00 0.27 H new ATOM 0 HA GLN A 10 -0.999 -4.397 7.197 1.00 0.25 H new ATOM 0 HB2 GLN A 10 -1.842 -5.479 9.503 1.00 0.26 H new ATOM 0 HB3 GLN A 10 -0.328 -4.821 10.092 1.00 0.26 H new ATOM 0 HG2 GLN A 10 -1.191 -2.624 8.851 1.00 0.26 H new ATOM 0 HG3 GLN A 10 -2.754 -3.386 9.067 1.00 0.26 H new ATOM 0 HE21 GLN A 10 -1.737 -0.918 10.271 1.00 0.89 H new ATOM 0 HE22 GLN A 10 -1.806 -1.158 12.020 1.00 0.89 H new ATOM 172 N ASN A 11 1.826 -5.224 8.701 1.00 0.24 N ATOM 173 CA ASN A 11 3.246 -4.915 8.809 1.00 0.23 C ATOM 174 C ASN A 11 3.902 -4.916 7.434 1.00 0.21 C ATOM 175 O ASN A 11 4.633 -3.992 7.084 1.00 0.22 O ATOM 176 CB ASN A 11 3.931 -5.940 9.713 1.00 0.27 C ATOM 177 CG ASN A 11 3.277 -6.035 11.077 1.00 0.72 C ATOM 178 OD1 ASN A 11 2.780 -5.044 11.611 1.00 1.08 O ATOM 179 ND2 ASN A 11 3.267 -7.237 11.644 1.00 0.82 N ATOM 0 H ASN A 11 1.535 -6.043 9.235 1.00 0.24 H new ATOM 0 HA ASN A 11 3.354 -3.921 9.243 1.00 0.23 H new ATOM 0 HB2 ASN A 11 3.907 -6.918 9.232 1.00 0.27 H new ATOM 0 HB3 ASN A 11 4.980 -5.670 9.834 1.00 0.27 H new ATOM 0 HD21 ASN A 11 2.835 -7.366 12.559 1.00 0.82 H new ATOM 0 HD22 ASN A 11 3.691 -8.031 11.164 1.00 0.82 H new ATOM 186 N ALA A 12 3.632 -5.963 6.659 1.00 0.19 N ATOM 187 CA ALA A 12 4.190 -6.093 5.315 1.00 0.18 C ATOM 188 C ALA A 12 3.882 -4.863 4.467 1.00 0.15 C ATOM 189 O ALA A 12 4.757 -4.329 3.787 1.00 0.20 O ATOM 190 CB ALA A 12 3.651 -7.347 4.641 1.00 0.22 C ATOM 0 H ALA A 12 3.028 -6.736 6.939 1.00 0.19 H new ATOM 0 HA ALA A 12 5.273 -6.176 5.406 1.00 0.18 H new ATOM 0 HB1 ALA A 12 4.074 -7.433 3.640 1.00 0.22 H new ATOM 0 HB2 ALA A 12 3.927 -8.223 5.228 1.00 0.22 H new ATOM 0 HB3 ALA A 12 2.565 -7.285 4.572 1.00 0.22 H new ATOM 196 N PHE A 13 2.630 -4.422 4.517 1.00 0.13 N ATOM 197 CA PHE A 13 2.188 -3.255 3.759 1.00 0.11 C ATOM 198 C PHE A 13 3.072 -2.042 4.048 1.00 0.11 C ATOM 199 O PHE A 13 3.654 -1.456 3.136 1.00 0.15 O ATOM 200 CB PHE A 13 0.727 -2.947 4.108 1.00 0.14 C ATOM 201 CG PHE A 13 0.203 -1.669 3.517 1.00 0.12 C ATOM 202 CD1 PHE A 13 -0.376 -1.655 2.257 1.00 0.12 C ATOM 203 CD2 PHE A 13 0.281 -0.482 4.228 1.00 0.13 C ATOM 204 CE1 PHE A 13 -0.866 -0.480 1.720 1.00 0.11 C ATOM 205 CE2 PHE A 13 -0.207 0.694 3.695 1.00 0.13 C ATOM 206 CZ PHE A 13 -0.781 0.694 2.440 1.00 0.11 C ATOM 0 H PHE A 13 1.898 -4.858 5.078 1.00 0.13 H new ATOM 0 HA PHE A 13 2.270 -3.477 2.695 1.00 0.11 H new ATOM 0 HB2 PHE A 13 0.103 -3.773 3.767 1.00 0.14 H new ATOM 0 HB3 PHE A 13 0.628 -2.899 5.192 1.00 0.14 H new ATOM 0 HD1 PHE A 13 -0.445 -2.572 1.690 1.00 0.12 H new ATOM 0 HD2 PHE A 13 0.729 -0.477 5.211 1.00 0.13 H new ATOM 0 HE1 PHE A 13 -1.315 -0.480 0.738 1.00 0.11 H new ATOM 0 HE2 PHE A 13 -0.140 1.613 4.259 1.00 0.13 H new ATOM 0 HZ PHE A 13 -1.164 1.613 2.021 1.00 0.11 H new ATOM 216 N TYR A 14 3.171 -1.674 5.323 1.00 0.11 N ATOM 217 CA TYR A 14 3.973 -0.523 5.734 1.00 0.13 C ATOM 218 C TYR A 14 5.453 -0.706 5.397 1.00 0.13 C ATOM 219 O TYR A 14 6.082 0.197 4.848 1.00 0.17 O ATOM 220 CB TYR A 14 3.812 -0.273 7.234 1.00 0.16 C ATOM 221 CG TYR A 14 2.400 0.082 7.642 1.00 0.19 C ATOM 222 CD1 TYR A 14 1.785 1.228 7.156 1.00 0.24 C ATOM 223 CD2 TYR A 14 1.680 -0.730 8.512 1.00 0.26 C ATOM 224 CE1 TYR A 14 0.495 1.557 7.524 1.00 0.31 C ATOM 225 CE2 TYR A 14 0.389 -0.407 8.885 1.00 0.32 C ATOM 226 CZ TYR A 14 -0.198 0.735 8.394 1.00 0.33 C ATOM 227 OH TYR A 14 -1.485 1.060 8.754 1.00 0.42 O ATOM 0 H TYR A 14 2.705 -2.157 6.091 1.00 0.11 H new ATOM 0 HA TYR A 14 3.608 0.340 5.177 1.00 0.13 H new ATOM 0 HB2 TYR A 14 4.125 -1.164 7.778 1.00 0.16 H new ATOM 0 HB3 TYR A 14 4.481 0.534 7.533 1.00 0.16 H new ATOM 0 HD1 TYR A 14 2.325 1.873 6.479 1.00 0.24 H new ATOM 0 HD2 TYR A 14 2.137 -1.627 8.902 1.00 0.26 H new ATOM 0 HE1 TYR A 14 0.030 2.451 7.135 1.00 0.31 H new ATOM 0 HE2 TYR A 14 -0.157 -1.050 9.560 1.00 0.32 H new ATOM 0 HH TYR A 14 -1.699 1.959 8.428 1.00 0.42 H new ATOM 237 N GLU A 15 6.005 -1.871 5.733 1.00 0.11 N ATOM 238 CA GLU A 15 7.413 -2.156 5.465 1.00 0.12 C ATOM 239 C GLU A 15 7.751 -1.915 3.998 1.00 0.12 C ATOM 240 O GLU A 15 8.895 -1.617 3.653 1.00 0.19 O ATOM 241 CB GLU A 15 7.751 -3.599 5.849 1.00 0.13 C ATOM 242 CG GLU A 15 7.731 -3.851 7.348 1.00 0.19 C ATOM 243 CD GLU A 15 8.033 -5.294 7.700 1.00 1.16 C ATOM 244 OE1 GLU A 15 9.225 -5.625 7.877 1.00 1.08 O ATOM 245 OE2 GLU A 15 7.079 -6.094 7.799 1.00 2.16 O ATOM 0 H GLU A 15 5.500 -2.630 6.190 1.00 0.11 H new ATOM 0 HA GLU A 15 8.012 -1.478 6.072 1.00 0.12 H new ATOM 0 HB2 GLU A 15 7.040 -4.270 5.367 1.00 0.13 H new ATOM 0 HB3 GLU A 15 8.739 -3.848 5.460 1.00 0.13 H new ATOM 0 HG2 GLU A 15 8.461 -3.202 7.832 1.00 0.19 H new ATOM 0 HG3 GLU A 15 6.752 -3.581 7.745 1.00 0.19 H new ATOM 252 N ILE A 16 6.746 -2.045 3.140 1.00 0.10 N ATOM 253 CA ILE A 16 6.924 -1.838 1.709 1.00 0.09 C ATOM 254 C ILE A 16 6.934 -0.348 1.375 1.00 0.12 C ATOM 255 O ILE A 16 7.627 0.088 0.455 1.00 0.16 O ATOM 256 CB ILE A 16 5.813 -2.553 0.909 1.00 0.10 C ATOM 257 CG1 ILE A 16 6.009 -4.070 0.983 1.00 0.12 C ATOM 258 CG2 ILE A 16 5.793 -2.083 -0.539 1.00 0.12 C ATOM 259 CD1 ILE A 16 4.851 -4.862 0.415 1.00 0.14 C ATOM 0 H ILE A 16 5.795 -2.294 3.413 1.00 0.10 H new ATOM 0 HA ILE A 16 7.886 -2.265 1.426 1.00 0.09 H new ATOM 0 HB ILE A 16 4.850 -2.300 1.353 1.00 0.10 H new ATOM 0 HG12 ILE A 16 6.919 -4.337 0.445 1.00 0.12 H new ATOM 0 HG13 ILE A 16 6.159 -4.358 2.024 1.00 0.12 H new ATOM 0 HG21 ILE A 16 5.002 -2.602 -1.079 1.00 0.12 H new ATOM 0 HG22 ILE A 16 5.609 -1.009 -0.570 1.00 0.12 H new ATOM 0 HG23 ILE A 16 6.754 -2.301 -1.005 1.00 0.12 H new ATOM 0 HD11 ILE A 16 5.062 -5.928 0.502 1.00 0.14 H new ATOM 0 HD12 ILE A 16 3.942 -4.625 0.968 1.00 0.14 H new ATOM 0 HD13 ILE A 16 4.714 -4.604 -0.635 1.00 0.14 H new ATOM 271 N LEU A 17 6.163 0.426 2.132 1.00 0.14 N ATOM 272 CA LEU A 17 6.083 1.869 1.928 1.00 0.19 C ATOM 273 C LEU A 17 7.315 2.577 2.491 1.00 0.18 C ATOM 274 O LEU A 17 7.740 3.611 1.975 1.00 0.26 O ATOM 275 CB LEU A 17 4.825 2.430 2.590 1.00 0.27 C ATOM 276 CG LEU A 17 3.576 2.429 1.710 1.00 0.35 C ATOM 277 CD1 LEU A 17 2.925 1.056 1.697 1.00 0.80 C ATOM 278 CD2 LEU A 17 2.598 3.487 2.188 1.00 0.77 C ATOM 0 H LEU A 17 5.583 0.077 2.895 1.00 0.14 H new ATOM 0 HA LEU A 17 6.040 2.050 0.854 1.00 0.19 H new ATOM 0 HB2 LEU A 17 4.617 1.851 3.490 1.00 0.27 H new ATOM 0 HB3 LEU A 17 5.026 3.453 2.908 1.00 0.27 H new ATOM 0 HG LEU A 17 3.872 2.667 0.688 1.00 0.35 H new ATOM 0 HD11 LEU A 17 2.038 1.080 1.064 1.00 0.80 H new ATOM 0 HD12 LEU A 17 3.630 0.323 1.306 1.00 0.80 H new ATOM 0 HD13 LEU A 17 2.639 0.779 2.712 1.00 0.80 H new ATOM 0 HD21 LEU A 17 1.712 3.477 1.553 1.00 0.77 H new ATOM 0 HD22 LEU A 17 2.309 3.277 3.218 1.00 0.77 H new ATOM 0 HD23 LEU A 17 3.070 4.468 2.137 1.00 0.77 H new ATOM 290 N HIS A 18 7.886 2.008 3.552 1.00 0.16 N ATOM 291 CA HIS A 18 9.059 2.586 4.203 1.00 0.16 C ATOM 292 C HIS A 18 10.292 2.542 3.303 1.00 0.13 C ATOM 293 O HIS A 18 11.185 3.380 3.428 1.00 0.15 O ATOM 294 CB HIS A 18 9.352 1.852 5.513 1.00 0.17 C ATOM 295 CG HIS A 18 8.455 2.255 6.643 1.00 0.25 C ATOM 296 ND1 HIS A 18 8.927 2.593 7.894 1.00 0.58 N ATOM 297 CD2 HIS A 18 7.106 2.372 6.709 1.00 0.28 C ATOM 298 CE1 HIS A 18 7.910 2.898 8.680 1.00 0.60 C ATOM 299 NE2 HIS A 18 6.794 2.772 7.985 1.00 0.33 N ATOM 0 H HIS A 18 7.553 1.144 3.980 1.00 0.16 H new ATOM 0 HA HIS A 18 8.832 3.632 4.410 1.00 0.16 H new ATOM 0 HB2 HIS A 18 9.254 0.779 5.348 1.00 0.17 H new ATOM 0 HB3 HIS A 18 10.387 2.037 5.799 1.00 0.17 H new ATOM 0 HD2 HIS A 18 6.407 2.185 5.907 1.00 0.28 H new ATOM 0 HE1 HIS A 18 7.979 3.199 9.715 1.00 0.60 H new ATOM 0 HE2 HIS A 18 5.853 2.944 8.339 1.00 0.33 H new ATOM 308 N LEU A 19 10.342 1.563 2.404 1.00 0.14 N ATOM 309 CA LEU A 19 11.474 1.420 1.494 1.00 0.14 C ATOM 310 C LEU A 19 11.761 2.737 0.770 1.00 0.16 C ATOM 311 O LEU A 19 10.944 3.201 -0.027 1.00 0.18 O ATOM 312 CB LEU A 19 11.201 0.304 0.483 1.00 0.12 C ATOM 313 CG LEU A 19 11.014 -1.087 1.094 1.00 0.11 C ATOM 314 CD1 LEU A 19 10.698 -2.108 0.013 1.00 0.13 C ATOM 315 CD2 LEU A 19 12.255 -1.502 1.873 1.00 0.12 C ATOM 0 H LEU A 19 9.614 0.859 2.286 1.00 0.14 H new ATOM 0 HA LEU A 19 12.354 1.156 2.080 1.00 0.14 H new ATOM 0 HB2 LEU A 19 10.306 0.559 -0.085 1.00 0.12 H new ATOM 0 HB3 LEU A 19 12.028 0.265 -0.226 1.00 0.12 H new ATOM 0 HG LEU A 19 10.172 -1.046 1.785 1.00 0.11 H new ATOM 0 HD11 LEU A 19 10.569 -3.090 0.467 1.00 0.13 H new ATOM 0 HD12 LEU A 19 9.780 -1.822 -0.501 1.00 0.13 H new ATOM 0 HD13 LEU A 19 11.518 -2.145 -0.704 1.00 0.13 H new ATOM 0 HD21 LEU A 19 12.102 -2.493 2.300 1.00 0.12 H new ATOM 0 HD22 LEU A 19 13.115 -1.524 1.203 1.00 0.12 H new ATOM 0 HD23 LEU A 19 12.438 -0.786 2.675 1.00 0.12 H new ATOM 327 N PRO A 20 12.928 3.361 1.039 1.00 0.18 N ATOM 328 CA PRO A 20 13.304 4.635 0.421 1.00 0.21 C ATOM 329 C PRO A 20 13.861 4.472 -0.990 1.00 0.21 C ATOM 330 O PRO A 20 13.468 5.191 -1.908 1.00 0.23 O ATOM 331 CB PRO A 20 14.382 5.163 1.362 1.00 0.24 C ATOM 332 CG PRO A 20 15.040 3.938 1.901 1.00 0.22 C ATOM 333 CD PRO A 20 13.972 2.875 1.966 1.00 0.19 C ATOM 0 HA PRO A 20 12.447 5.298 0.301 1.00 0.21 H new ATOM 0 HB2 PRO A 20 15.095 5.796 0.834 1.00 0.24 H new ATOM 0 HB3 PRO A 20 13.951 5.766 2.161 1.00 0.24 H new ATOM 0 HG2 PRO A 20 15.862 3.624 1.258 1.00 0.22 H new ATOM 0 HG3 PRO A 20 15.462 4.126 2.888 1.00 0.22 H new ATOM 0 HD2 PRO A 20 14.357 1.903 1.659 1.00 0.19 H new ATOM 0 HD3 PRO A 20 13.585 2.759 2.978 1.00 0.19 H new ATOM 341 N ASN A 21 14.779 3.525 -1.157 1.00 0.20 N ATOM 342 CA ASN A 21 15.391 3.277 -2.456 1.00 0.21 C ATOM 343 C ASN A 21 14.355 2.775 -3.454 1.00 0.20 C ATOM 344 O ASN A 21 14.529 2.914 -4.666 1.00 0.23 O ATOM 345 CB ASN A 21 16.534 2.269 -2.319 1.00 0.21 C ATOM 346 CG ASN A 21 17.647 2.786 -1.427 1.00 0.26 C ATOM 347 OD1 ASN A 21 17.911 3.986 -1.378 1.00 0.30 O ATOM 348 ND2 ASN A 21 18.305 1.879 -0.714 1.00 0.26 N ATOM 0 H ASN A 21 15.115 2.918 -0.409 1.00 0.20 H new ATOM 0 HA ASN A 21 15.797 4.217 -2.830 1.00 0.21 H new ATOM 0 HB2 ASN A 21 16.147 1.336 -1.910 1.00 0.21 H new ATOM 0 HB3 ASN A 21 16.937 2.042 -3.306 1.00 0.21 H new ATOM 0 HD21 ASN A 21 19.063 2.168 -0.095 1.00 0.26 H new ATOM 0 HD22 ASN A 21 18.053 0.893 -0.785 1.00 0.26 H new ATOM 355 N LEU A 22 13.276 2.194 -2.939 1.00 0.18 N ATOM 356 CA LEU A 22 12.206 1.683 -3.787 1.00 0.17 C ATOM 357 C LEU A 22 11.298 2.825 -4.229 1.00 0.20 C ATOM 358 O LEU A 22 10.877 3.643 -3.409 1.00 0.26 O ATOM 359 CB LEU A 22 11.385 0.630 -3.041 1.00 0.17 C ATOM 360 CG LEU A 22 10.682 -0.396 -3.932 1.00 0.17 C ATOM 361 CD1 LEU A 22 11.651 -1.491 -4.350 1.00 0.29 C ATOM 362 CD2 LEU A 22 9.478 -0.989 -3.218 1.00 0.26 C ATOM 0 H LEU A 22 13.120 2.066 -1.939 1.00 0.18 H new ATOM 0 HA LEU A 22 12.655 1.220 -4.665 1.00 0.17 H new ATOM 0 HB2 LEU A 22 12.043 0.100 -2.352 1.00 0.17 H new ATOM 0 HB3 LEU A 22 10.634 1.139 -2.437 1.00 0.17 H new ATOM 0 HG LEU A 22 10.330 0.112 -4.830 1.00 0.17 H new ATOM 0 HD11 LEU A 22 11.134 -2.212 -4.983 1.00 0.29 H new ATOM 0 HD12 LEU A 22 12.480 -1.051 -4.904 1.00 0.29 H new ATOM 0 HD13 LEU A 22 12.034 -1.996 -3.463 1.00 0.29 H new ATOM 0 HD21 LEU A 22 8.991 -1.716 -3.868 1.00 0.26 H new ATOM 0 HD22 LEU A 22 9.804 -1.482 -2.302 1.00 0.26 H new ATOM 0 HD23 LEU A 22 8.774 -0.195 -2.971 1.00 0.26 H new ATOM 374 N ASN A 23 10.998 2.881 -5.522 1.00 0.22 N ATOM 375 CA ASN A 23 10.143 3.935 -6.056 1.00 0.27 C ATOM 376 C ASN A 23 8.678 3.527 -5.995 1.00 0.24 C ATOM 377 O ASN A 23 8.351 2.421 -5.569 1.00 0.29 O ATOM 378 CB ASN A 23 10.523 4.262 -7.501 1.00 0.33 C ATOM 379 CG ASN A 23 11.908 3.766 -7.866 1.00 0.75 C ATOM 380 OD1 ASN A 23 11.979 2.549 -8.390 1.00 1.59 O flip ATOM 381 ND2 ASN A 23 12.901 4.470 -7.683 1.00 1.33 N flip ATOM 0 H ASN A 23 11.332 2.213 -6.217 1.00 0.22 H new ATOM 0 HA ASN A 23 10.289 4.823 -5.441 1.00 0.27 H new ATOM 0 HB2 ASN A 23 9.792 3.815 -8.175 1.00 0.33 H new ATOM 0 HB3 ASN A 23 10.477 5.341 -7.650 1.00 0.33 H new ATOM 0 HD21 ASN A 23 12.799 5.400 -7.277 1.00 1.33 H new ATOM 0 HD22 ASN A 23 13.826 4.123 -7.937 1.00 1.33 H new ATOM 388 N GLU A 24 7.800 4.426 -6.422 1.00 0.29 N ATOM 389 CA GLU A 24 6.370 4.148 -6.423 1.00 0.29 C ATOM 390 C GLU A 24 6.022 3.144 -7.515 1.00 0.24 C ATOM 391 O GLU A 24 5.089 2.360 -7.373 1.00 0.22 O ATOM 392 CB GLU A 24 5.576 5.437 -6.627 1.00 0.36 C ATOM 393 CG GLU A 24 5.628 6.383 -5.439 1.00 1.23 C ATOM 394 CD GLU A 24 6.998 7.004 -5.247 1.00 1.42 C ATOM 395 OE1 GLU A 24 7.265 8.056 -5.866 1.00 1.25 O ATOM 396 OE2 GLU A 24 7.804 6.440 -4.478 1.00 2.17 O ATOM 0 H GLU A 24 8.052 5.351 -6.771 1.00 0.29 H new ATOM 0 HA GLU A 24 6.104 3.720 -5.456 1.00 0.29 H new ATOM 0 HB2 GLU A 24 5.959 5.953 -7.508 1.00 0.36 H new ATOM 0 HB3 GLU A 24 4.536 5.184 -6.833 1.00 0.36 H new ATOM 0 HG2 GLU A 24 4.891 7.174 -5.577 1.00 1.23 H new ATOM 0 HG3 GLU A 24 5.349 5.841 -4.535 1.00 1.23 H new ATOM 403 N GLU A 25 6.779 3.176 -8.608 1.00 0.27 N ATOM 404 CA GLU A 25 6.545 2.260 -9.719 1.00 0.28 C ATOM 405 C GLU A 25 6.744 0.816 -9.274 1.00 0.24 C ATOM 406 O GLU A 25 6.029 -0.086 -9.711 1.00 0.30 O ATOM 407 CB GLU A 25 7.480 2.582 -10.884 1.00 0.36 C ATOM 408 CG GLU A 25 8.940 2.601 -10.484 1.00 0.91 C ATOM 409 CD GLU A 25 9.869 2.824 -11.662 1.00 1.60 C ATOM 410 OE1 GLU A 25 10.052 3.994 -12.059 1.00 2.20 O ATOM 411 OE2 GLU A 25 10.409 1.829 -12.189 1.00 2.00 O ATOM 0 H GLU A 25 7.555 3.823 -8.748 1.00 0.27 H new ATOM 0 HA GLU A 25 5.514 2.384 -10.051 1.00 0.28 H new ATOM 0 HB2 GLU A 25 7.335 1.844 -11.673 1.00 0.36 H new ATOM 0 HB3 GLU A 25 7.211 3.552 -11.301 1.00 0.36 H new ATOM 0 HG2 GLU A 25 9.100 3.388 -9.747 1.00 0.91 H new ATOM 0 HG3 GLU A 25 9.192 1.657 -10.002 1.00 0.91 H new ATOM 418 N GLN A 26 7.724 0.609 -8.401 1.00 0.18 N ATOM 419 CA GLN A 26 8.023 -0.720 -7.882 1.00 0.15 C ATOM 420 C GLN A 26 7.109 -1.050 -6.710 1.00 0.13 C ATOM 421 O GLN A 26 6.610 -2.167 -6.589 1.00 0.16 O ATOM 422 CB GLN A 26 9.487 -0.799 -7.452 1.00 0.15 C ATOM 423 CG GLN A 26 10.454 -0.576 -8.602 1.00 0.19 C ATOM 424 CD GLN A 26 11.902 -0.543 -8.170 1.00 1.03 C ATOM 425 OE1 GLN A 26 12.149 -0.052 -6.969 1.00 2.00 O flip ATOM 426 NE2 GLN A 26 12.790 -0.953 -8.916 1.00 1.59 N flip ATOM 0 H GLN A 26 8.326 1.347 -8.037 1.00 0.18 H new ATOM 0 HA GLN A 26 7.849 -1.451 -8.672 1.00 0.15 H new ATOM 0 HB2 GLN A 26 9.674 -0.055 -6.678 1.00 0.15 H new ATOM 0 HB3 GLN A 26 9.678 -1.776 -7.008 1.00 0.15 H new ATOM 0 HG2 GLN A 26 10.320 -1.368 -9.339 1.00 0.19 H new ATOM 0 HG3 GLN A 26 10.208 0.364 -9.097 1.00 0.19 H new ATOM 0 HE21 GLN A 26 12.552 -1.324 -9.836 1.00 1.59 H new ATOM 0 HE22 GLN A 26 13.764 -0.922 -8.615 1.00 1.59 H new ATOM 435 N ARG A 27 6.895 -0.060 -5.854 1.00 0.13 N ATOM 436 CA ARG A 27 6.041 -0.220 -4.683 1.00 0.13 C ATOM 437 C ARG A 27 4.609 -0.562 -5.086 1.00 0.14 C ATOM 438 O ARG A 27 3.961 -1.398 -4.458 1.00 0.23 O ATOM 439 CB ARG A 27 6.051 1.060 -3.848 1.00 0.14 C ATOM 440 CG ARG A 27 5.147 1.003 -2.629 1.00 0.18 C ATOM 441 CD ARG A 27 5.149 2.324 -1.881 1.00 0.41 C ATOM 442 NE ARG A 27 6.501 2.737 -1.511 1.00 1.59 N ATOM 443 CZ ARG A 27 7.016 3.928 -1.804 1.00 1.94 C ATOM 444 NH1 ARG A 27 6.298 4.819 -2.476 1.00 1.37 N ATOM 445 NH2 ARG A 27 8.251 4.228 -1.427 1.00 3.04 N ATOM 0 H ARG A 27 7.304 0.869 -5.949 1.00 0.13 H new ATOM 0 HA ARG A 27 6.435 -1.045 -4.089 1.00 0.13 H new ATOM 0 HB2 ARG A 27 7.071 1.263 -3.523 1.00 0.14 H new ATOM 0 HB3 ARG A 27 5.745 1.896 -4.477 1.00 0.14 H new ATOM 0 HG2 ARG A 27 4.131 0.759 -2.938 1.00 0.18 H new ATOM 0 HG3 ARG A 27 5.479 0.205 -1.964 1.00 0.18 H new ATOM 0 HD2 ARG A 27 4.691 3.094 -2.502 1.00 0.41 H new ATOM 0 HD3 ARG A 27 4.538 2.234 -0.983 1.00 0.41 H new ATOM 0 HE ARG A 27 7.083 2.074 -0.999 1.00 1.59 H new ATOM 0 HH11 ARG A 27 5.348 4.592 -2.770 1.00 1.37 H new ATOM 0 HH12 ARG A 27 6.696 5.731 -2.699 1.00 1.37 H new ATOM 0 HH21 ARG A 27 8.807 3.545 -0.912 1.00 3.04 H new ATOM 0 HH22 ARG A 27 8.645 5.141 -1.652 1.00 3.04 H new ATOM 459 N ASN A 28 4.122 0.092 -6.136 1.00 0.13 N ATOM 460 CA ASN A 28 2.765 -0.137 -6.621 1.00 0.15 C ATOM 461 C ASN A 28 2.588 -1.585 -7.062 1.00 0.15 C ATOM 462 O ASN A 28 1.536 -2.185 -6.845 1.00 0.21 O ATOM 463 CB ASN A 28 2.443 0.804 -7.785 1.00 0.19 C ATOM 464 CG ASN A 28 2.088 2.208 -7.330 1.00 0.20 C ATOM 465 OD1 ASN A 28 2.760 2.687 -6.291 1.00 0.26 O flip ATOM 466 ND2 ASN A 28 1.226 2.862 -7.916 1.00 0.19 N flip ATOM 0 H ASN A 28 4.648 0.786 -6.668 1.00 0.13 H new ATOM 0 HA ASN A 28 2.076 0.067 -5.802 1.00 0.15 H new ATOM 0 HB2 ASN A 28 3.301 0.851 -8.455 1.00 0.19 H new ATOM 0 HB3 ASN A 28 1.612 0.393 -8.359 1.00 0.19 H new ATOM 0 HD21 ASN A 28 0.732 2.457 -8.711 1.00 0.19 H new ATOM 0 HD22 ASN A 28 1.006 3.809 -7.607 1.00 0.19 H new ATOM 473 N ALA A 29 3.623 -2.137 -7.686 1.00 0.12 N ATOM 474 CA ALA A 29 3.588 -3.516 -8.157 1.00 0.12 C ATOM 475 C ALA A 29 3.467 -4.487 -6.989 1.00 0.11 C ATOM 476 O ALA A 29 2.748 -5.484 -7.070 1.00 0.15 O ATOM 477 CB ALA A 29 4.829 -3.827 -8.981 1.00 0.15 C ATOM 0 H ALA A 29 4.498 -1.649 -7.877 1.00 0.12 H new ATOM 0 HA ALA A 29 2.709 -3.637 -8.791 1.00 0.12 H new ATOM 0 HB1 ALA A 29 4.788 -4.860 -9.325 1.00 0.15 H new ATOM 0 HB2 ALA A 29 4.871 -3.159 -9.842 1.00 0.15 H new ATOM 0 HB3 ALA A 29 5.718 -3.684 -8.367 1.00 0.15 H new ATOM 483 N PHE A 30 4.174 -4.191 -5.901 1.00 0.10 N ATOM 484 CA PHE A 30 4.136 -5.039 -4.716 1.00 0.10 C ATOM 485 C PHE A 30 2.786 -4.928 -4.021 1.00 0.12 C ATOM 486 O PHE A 30 2.181 -5.937 -3.666 1.00 0.18 O ATOM 487 CB PHE A 30 5.266 -4.669 -3.754 1.00 0.12 C ATOM 488 CG PHE A 30 6.624 -5.077 -4.251 1.00 0.12 C ATOM 489 CD1 PHE A 30 6.955 -6.417 -4.375 1.00 0.12 C ATOM 490 CD2 PHE A 30 7.565 -4.123 -4.597 1.00 0.18 C ATOM 491 CE1 PHE A 30 8.201 -6.797 -4.836 1.00 0.16 C ATOM 492 CE2 PHE A 30 8.813 -4.497 -5.058 1.00 0.21 C ATOM 493 CZ PHE A 30 9.131 -5.835 -5.177 1.00 0.20 C ATOM 0 H PHE A 30 4.778 -3.373 -5.817 1.00 0.10 H new ATOM 0 HA PHE A 30 4.277 -6.073 -5.030 1.00 0.10 H new ATOM 0 HB2 PHE A 30 5.255 -3.592 -3.589 1.00 0.12 H new ATOM 0 HB3 PHE A 30 5.082 -5.142 -2.789 1.00 0.12 H new ATOM 0 HD1 PHE A 30 6.231 -7.173 -4.108 1.00 0.12 H new ATOM 0 HD2 PHE A 30 7.321 -3.075 -4.506 1.00 0.18 H new ATOM 0 HE1 PHE A 30 8.447 -7.844 -4.929 1.00 0.16 H new ATOM 0 HE2 PHE A 30 9.539 -3.743 -5.325 1.00 0.21 H new ATOM 0 HZ PHE A 30 10.106 -6.129 -5.536 1.00 0.20 H new ATOM 503 N ILE A 31 2.319 -3.696 -3.827 1.00 0.10 N ATOM 504 CA ILE A 31 1.028 -3.464 -3.191 1.00 0.11 C ATOM 505 C ILE A 31 -0.077 -4.134 -4.002 1.00 0.11 C ATOM 506 O ILE A 31 -1.068 -4.613 -3.451 1.00 0.16 O ATOM 507 CB ILE A 31 0.730 -1.951 -3.049 1.00 0.11 C ATOM 508 CG1 ILE A 31 1.700 -1.315 -2.047 1.00 0.12 C ATOM 509 CG2 ILE A 31 -0.713 -1.717 -2.619 1.00 0.13 C ATOM 510 CD1 ILE A 31 1.483 0.169 -1.843 1.00 0.13 C ATOM 0 H ILE A 31 2.815 -2.848 -4.101 1.00 0.10 H new ATOM 0 HA ILE A 31 1.063 -3.896 -2.191 1.00 0.11 H new ATOM 0 HB ILE A 31 0.870 -1.480 -4.022 1.00 0.11 H new ATOM 0 HG12 ILE A 31 1.601 -1.822 -1.087 1.00 0.12 H new ATOM 0 HG13 ILE A 31 2.721 -1.479 -2.390 1.00 0.12 H new ATOM 0 HG21 ILE A 31 -0.896 -0.646 -2.527 1.00 0.13 H new ATOM 0 HG22 ILE A 31 -1.388 -2.137 -3.365 1.00 0.13 H new ATOM 0 HG23 ILE A 31 -0.889 -2.199 -1.658 1.00 0.13 H new ATOM 0 HD11 ILE A 31 2.207 0.547 -1.121 1.00 0.13 H new ATOM 0 HD12 ILE A 31 1.612 0.689 -2.792 1.00 0.13 H new ATOM 0 HD13 ILE A 31 0.474 0.341 -1.469 1.00 0.13 H new ATOM 522 N GLN A 32 0.114 -4.165 -5.317 1.00 0.08 N ATOM 523 CA GLN A 32 -0.841 -4.783 -6.225 1.00 0.09 C ATOM 524 C GLN A 32 -0.965 -6.278 -5.946 1.00 0.11 C ATOM 525 O GLN A 32 -2.057 -6.783 -5.681 1.00 0.19 O ATOM 526 CB GLN A 32 -0.392 -4.561 -7.669 1.00 0.11 C ATOM 527 CG GLN A 32 -1.538 -4.407 -8.648 1.00 0.15 C ATOM 528 CD GLN A 32 -1.066 -4.188 -10.071 1.00 0.29 C ATOM 529 OE1 GLN A 32 -1.854 -4.649 -11.034 1.00 0.82 O flip ATOM 530 NE2 GLN A 32 -0.002 -3.612 -10.303 1.00 1.04 N flip ATOM 0 H GLN A 32 0.930 -3.765 -5.779 1.00 0.08 H new ATOM 0 HA GLN A 32 -1.817 -4.323 -6.070 1.00 0.09 H new ATOM 0 HB2 GLN A 32 0.233 -3.669 -7.712 1.00 0.11 H new ATOM 0 HB3 GLN A 32 0.229 -5.401 -7.980 1.00 0.11 H new ATOM 0 HG2 GLN A 32 -2.165 -5.298 -8.611 1.00 0.15 H new ATOM 0 HG3 GLN A 32 -2.161 -3.566 -8.343 1.00 0.15 H new ATOM 0 HE21 GLN A 32 0.573 -3.273 -9.532 1.00 1.04 H new ATOM 0 HE22 GLN A 32 0.304 -3.474 -11.266 1.00 1.04 H new ATOM 539 N SER A 33 0.164 -6.979 -6.007 1.00 0.09 N ATOM 540 CA SER A 33 0.194 -8.418 -5.767 1.00 0.11 C ATOM 541 C SER A 33 -0.113 -8.738 -4.307 1.00 0.10 C ATOM 542 O SER A 33 -0.531 -9.849 -3.981 1.00 0.15 O ATOM 543 CB SER A 33 1.561 -8.989 -6.149 1.00 0.13 C ATOM 544 OG SER A 33 1.611 -10.386 -5.927 1.00 1.19 O ATOM 0 H SER A 33 1.074 -6.571 -6.222 1.00 0.09 H new ATOM 0 HA SER A 33 -0.574 -8.879 -6.388 1.00 0.11 H new ATOM 0 HB2 SER A 33 1.767 -8.777 -7.198 1.00 0.13 H new ATOM 0 HB3 SER A 33 2.340 -8.497 -5.566 1.00 0.13 H new ATOM 0 HG SER A 33 2.226 -10.798 -6.570 1.00 1.19 H new ATOM 550 N LEU A 34 0.101 -7.761 -3.433 1.00 0.10 N ATOM 551 CA LEU A 34 -0.157 -7.938 -2.007 1.00 0.11 C ATOM 552 C LEU A 34 -1.653 -8.085 -1.758 1.00 0.13 C ATOM 553 O LEU A 34 -2.080 -8.772 -0.830 1.00 0.18 O ATOM 554 CB LEU A 34 0.384 -6.742 -1.217 1.00 0.10 C ATOM 555 CG LEU A 34 1.037 -7.075 0.128 1.00 0.13 C ATOM 556 CD1 LEU A 34 1.484 -5.801 0.827 1.00 0.16 C ATOM 557 CD2 LEU A 34 0.086 -7.863 1.018 1.00 0.17 C ATOM 0 H LEU A 34 0.453 -6.838 -3.686 1.00 0.10 H new ATOM 0 HA LEU A 34 0.351 -8.843 -1.673 1.00 0.11 H new ATOM 0 HB2 LEU A 34 1.115 -6.222 -1.836 1.00 0.10 H new ATOM 0 HB3 LEU A 34 -0.436 -6.046 -1.040 1.00 0.10 H new ATOM 0 HG LEU A 34 1.912 -7.696 -0.064 1.00 0.13 H new ATOM 0 HD11 LEU A 34 1.946 -6.053 1.782 1.00 0.16 H new ATOM 0 HD12 LEU A 34 2.206 -5.277 0.201 1.00 0.16 H new ATOM 0 HD13 LEU A 34 0.620 -5.159 1.000 1.00 0.16 H new ATOM 0 HD21 LEU A 34 0.575 -8.086 1.966 1.00 0.17 H new ATOM 0 HD22 LEU A 34 -0.812 -7.273 1.203 1.00 0.17 H new ATOM 0 HD23 LEU A 34 -0.187 -8.795 0.523 1.00 0.17 H new ATOM 569 N LYS A 35 -2.442 -7.434 -2.604 1.00 0.15 N ATOM 570 CA LYS A 35 -3.892 -7.469 -2.488 1.00 0.19 C ATOM 571 C LYS A 35 -4.473 -8.695 -3.191 1.00 0.22 C ATOM 572 O LYS A 35 -5.275 -9.430 -2.614 1.00 0.31 O ATOM 573 CB LYS A 35 -4.486 -6.196 -3.088 1.00 0.23 C ATOM 574 CG LYS A 35 -5.972 -6.032 -2.832 1.00 0.23 C ATOM 575 CD LYS A 35 -6.247 -5.693 -1.378 1.00 0.24 C ATOM 576 CE LYS A 35 -7.706 -5.342 -1.161 1.00 0.22 C ATOM 577 NZ LYS A 35 -8.597 -6.516 -1.364 1.00 0.46 N ATOM 0 H LYS A 35 -2.098 -6.872 -3.383 1.00 0.15 H new ATOM 0 HA LYS A 35 -4.150 -7.531 -1.431 1.00 0.19 H new ATOM 0 HB2 LYS A 35 -3.959 -5.333 -2.680 1.00 0.23 H new ATOM 0 HB3 LYS A 35 -4.310 -6.197 -4.164 1.00 0.23 H new ATOM 0 HG2 LYS A 35 -6.369 -5.244 -3.473 1.00 0.23 H new ATOM 0 HG3 LYS A 35 -6.493 -6.952 -3.098 1.00 0.23 H new ATOM 0 HD2 LYS A 35 -5.977 -6.540 -0.747 1.00 0.24 H new ATOM 0 HD3 LYS A 35 -5.620 -4.855 -1.073 1.00 0.24 H new ATOM 0 HE2 LYS A 35 -7.840 -4.956 -0.151 1.00 0.22 H new ATOM 0 HE3 LYS A 35 -7.993 -4.546 -1.847 1.00 0.22 H new ATOM 0 HZ1 LYS A 35 -9.421 -6.439 -0.734 1.00 0.46 H new ATOM 0 HZ2 LYS A 35 -8.918 -6.541 -2.353 1.00 0.46 H new ATOM 0 HZ3 LYS A 35 -8.076 -7.389 -1.147 1.00 0.46 H new ATOM 591 N ASP A 36 -4.062 -8.907 -4.438 1.00 0.23 N ATOM 592 CA ASP A 36 -4.541 -10.041 -5.223 1.00 0.28 C ATOM 593 C ASP A 36 -4.058 -11.358 -4.629 1.00 0.25 C ATOM 594 O ASP A 36 -4.718 -12.390 -4.753 1.00 0.33 O ATOM 595 CB ASP A 36 -4.062 -9.919 -6.670 1.00 0.34 C ATOM 596 CG ASP A 36 -4.643 -10.995 -7.567 1.00 1.07 C ATOM 597 OD1 ASP A 36 -4.027 -12.078 -7.670 1.00 2.07 O ATOM 598 OD2 ASP A 36 -5.711 -10.756 -8.167 1.00 0.96 O ATOM 0 H ASP A 36 -3.397 -8.308 -4.927 1.00 0.23 H new ATOM 0 HA ASP A 36 -5.631 -10.032 -5.202 1.00 0.28 H new ATOM 0 HB2 ASP A 36 -4.337 -8.939 -7.059 1.00 0.34 H new ATOM 0 HB3 ASP A 36 -2.974 -9.978 -6.695 1.00 0.34 H new ATOM 603 N ASP A 37 -2.898 -11.312 -3.988 1.00 0.20 N ATOM 604 CA ASP A 37 -2.312 -12.494 -3.368 1.00 0.22 C ATOM 605 C ASP A 37 -1.739 -12.151 -1.994 1.00 0.18 C ATOM 606 O ASP A 37 -0.526 -12.010 -1.837 1.00 0.16 O ATOM 607 CB ASP A 37 -1.218 -13.078 -4.264 1.00 0.27 C ATOM 608 CG ASP A 37 -1.765 -13.595 -5.581 1.00 0.76 C ATOM 609 OD1 ASP A 37 -2.396 -14.672 -5.579 1.00 0.91 O ATOM 610 OD2 ASP A 37 -1.563 -12.920 -6.613 1.00 1.29 O ATOM 0 H ASP A 37 -2.341 -10.464 -3.883 1.00 0.20 H new ATOM 0 HA ASP A 37 -3.097 -13.240 -3.241 1.00 0.22 H new ATOM 0 HB2 ASP A 37 -0.466 -12.313 -4.461 1.00 0.27 H new ATOM 0 HB3 ASP A 37 -0.716 -13.890 -3.738 1.00 0.27 H new ATOM 615 N PRO A 38 -2.612 -12.007 -0.979 1.00 0.21 N ATOM 616 CA PRO A 38 -2.195 -11.676 0.390 1.00 0.21 C ATOM 617 C PRO A 38 -1.262 -12.724 0.989 1.00 0.21 C ATOM 618 O PRO A 38 -0.618 -12.482 2.010 1.00 0.23 O ATOM 619 CB PRO A 38 -3.515 -11.624 1.169 1.00 0.27 C ATOM 620 CG PRO A 38 -4.484 -12.394 0.339 1.00 0.30 C ATOM 621 CD PRO A 38 -4.074 -12.152 -1.083 1.00 0.26 C ATOM 0 HA PRO A 38 -1.630 -10.745 0.423 1.00 0.21 H new ATOM 0 HB2 PRO A 38 -3.406 -12.065 2.160 1.00 0.27 H new ATOM 0 HB3 PRO A 38 -3.848 -10.596 1.313 1.00 0.27 H new ATOM 0 HG2 PRO A 38 -4.451 -13.456 0.582 1.00 0.30 H new ATOM 0 HG3 PRO A 38 -5.506 -12.058 0.515 1.00 0.30 H new ATOM 0 HD2 PRO A 38 -4.353 -12.982 -1.732 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -4.542 -11.256 -1.492 1.00 0.26 H new ATOM 629 N SER A 39 -1.195 -13.888 0.352 1.00 0.21 N ATOM 630 CA SER A 39 -0.335 -14.970 0.824 1.00 0.23 C ATOM 631 C SER A 39 1.128 -14.651 0.537 1.00 0.21 C ATOM 632 O SER A 39 2.029 -15.123 1.230 1.00 0.24 O ATOM 633 CB SER A 39 -0.720 -16.289 0.153 1.00 0.26 C ATOM 634 OG SER A 39 -0.582 -16.206 -1.255 1.00 1.37 O ATOM 0 H SER A 39 -1.725 -14.107 -0.492 1.00 0.21 H new ATOM 0 HA SER A 39 -0.470 -15.069 1.901 1.00 0.23 H new ATOM 0 HB2 SER A 39 -0.091 -17.092 0.536 1.00 0.26 H new ATOM 0 HB3 SER A 39 -1.750 -16.542 0.406 1.00 0.26 H new ATOM 0 HG SER A 39 -0.833 -17.063 -1.659 1.00 1.37 H new ATOM 640 N GLN A 40 1.349 -13.843 -0.493 1.00 0.19 N ATOM 641 CA GLN A 40 2.694 -13.447 -0.891 1.00 0.18 C ATOM 642 C GLN A 40 3.199 -12.292 -0.031 1.00 0.16 C ATOM 643 O GLN A 40 4.296 -11.784 -0.244 1.00 0.16 O ATOM 644 CB GLN A 40 2.715 -13.050 -2.367 1.00 0.21 C ATOM 645 CG GLN A 40 2.170 -14.126 -3.291 1.00 0.27 C ATOM 646 CD GLN A 40 2.969 -15.412 -3.225 1.00 0.34 C ATOM 647 OE1 GLN A 40 3.918 -15.607 -3.984 1.00 0.62 O ATOM 648 NE2 GLN A 40 2.592 -16.297 -2.308 1.00 0.69 N ATOM 0 H GLN A 40 0.608 -13.447 -1.071 1.00 0.19 H new ATOM 0 HA GLN A 40 3.356 -14.300 -0.743 1.00 0.18 H new ATOM 0 HB2 GLN A 40 2.131 -12.139 -2.499 1.00 0.21 H new ATOM 0 HB3 GLN A 40 3.739 -12.817 -2.658 1.00 0.21 H new ATOM 0 HG2 GLN A 40 1.133 -14.334 -3.028 1.00 0.27 H new ATOM 0 HG3 GLN A 40 2.171 -13.754 -4.316 1.00 0.27 H new ATOM 0 HE21 GLN A 40 1.799 -16.094 -1.699 1.00 0.69 H new ATOM 0 HE22 GLN A 40 3.096 -17.179 -2.213 1.00 0.69 H new ATOM 657 N SER A 41 2.379 -11.878 0.931 1.00 0.17 N ATOM 658 CA SER A 41 2.723 -10.776 1.828 1.00 0.20 C ATOM 659 C SER A 41 4.164 -10.876 2.319 1.00 0.20 C ATOM 660 O SER A 41 4.812 -9.862 2.575 1.00 0.25 O ATOM 661 CB SER A 41 1.772 -10.756 3.024 1.00 0.23 C ATOM 662 OG SER A 41 1.738 -12.017 3.668 1.00 1.10 O ATOM 0 H SER A 41 1.464 -12.292 1.111 1.00 0.17 H new ATOM 0 HA SER A 41 2.623 -9.849 1.263 1.00 0.20 H new ATOM 0 HB2 SER A 41 2.089 -9.991 3.732 1.00 0.23 H new ATOM 0 HB3 SER A 41 0.770 -10.487 2.691 1.00 0.23 H new ATOM 0 HG SER A 41 0.987 -12.542 3.320 1.00 1.10 H new ATOM 668 N ALA A 42 4.658 -12.102 2.456 1.00 0.18 N ATOM 669 CA ALA A 42 6.023 -12.328 2.916 1.00 0.20 C ATOM 670 C ALA A 42 7.002 -12.358 1.747 1.00 0.17 C ATOM 671 O ALA A 42 8.142 -11.910 1.869 1.00 0.18 O ATOM 672 CB ALA A 42 6.101 -13.622 3.708 1.00 0.24 C ATOM 0 H ALA A 42 4.134 -12.954 2.255 1.00 0.18 H new ATOM 0 HA ALA A 42 6.304 -11.499 3.565 1.00 0.20 H new ATOM 0 HB1 ALA A 42 7.125 -13.780 4.046 1.00 0.24 H new ATOM 0 HB2 ALA A 42 5.439 -13.560 4.572 1.00 0.24 H new ATOM 0 HB3 ALA A 42 5.795 -14.455 3.075 1.00 0.24 H new ATOM 678 N ASN A 43 6.549 -12.887 0.615 1.00 0.16 N ATOM 679 CA ASN A 43 7.388 -12.972 -0.577 1.00 0.16 C ATOM 680 C ASN A 43 7.626 -11.590 -1.171 1.00 0.13 C ATOM 681 O ASN A 43 8.766 -11.144 -1.282 1.00 0.14 O ATOM 682 CB ASN A 43 6.737 -13.884 -1.619 1.00 0.18 C ATOM 683 CG ASN A 43 6.747 -15.341 -1.198 1.00 0.21 C ATOM 684 OD1 ASN A 43 5.717 -15.757 -0.471 1.00 0.59 O flip ATOM 685 ND2 ASN A 43 7.674 -16.085 -1.521 1.00 0.71 N flip ATOM 0 H ASN A 43 5.608 -13.263 0.497 1.00 0.16 H new ATOM 0 HA ASN A 43 8.350 -13.394 -0.287 1.00 0.16 H new ATOM 0 HB2 ASN A 43 5.709 -13.564 -1.786 1.00 0.18 H new ATOM 0 HB3 ASN A 43 7.262 -13.779 -2.568 1.00 0.18 H new ATOM 0 HD21 ASN A 43 8.446 -15.724 -2.081 1.00 0.71 H new ATOM 0 HD22 ASN A 43 7.669 -17.062 -1.229 1.00 0.71 H new ATOM 692 N LEU A 44 6.542 -10.921 -1.555 1.00 0.13 N ATOM 693 CA LEU A 44 6.625 -9.583 -2.128 1.00 0.12 C ATOM 694 C LEU A 44 7.459 -8.669 -1.238 1.00 0.11 C ATOM 695 O LEU A 44 8.191 -7.809 -1.727 1.00 0.12 O ATOM 696 CB LEU A 44 5.223 -9.004 -2.307 1.00 0.12 C ATOM 697 CG LEU A 44 4.294 -9.839 -3.186 1.00 0.16 C ATOM 698 CD1 LEU A 44 2.842 -9.470 -2.932 1.00 0.16 C ATOM 699 CD2 LEU A 44 4.644 -9.653 -4.654 1.00 0.23 C ATOM 0 H LEU A 44 5.593 -11.287 -1.479 1.00 0.13 H new ATOM 0 HA LEU A 44 7.109 -9.652 -3.102 1.00 0.12 H new ATOM 0 HB2 LEU A 44 4.765 -8.888 -1.325 1.00 0.12 H new ATOM 0 HB3 LEU A 44 5.309 -8.007 -2.738 1.00 0.12 H new ATOM 0 HG LEU A 44 4.429 -10.890 -2.929 1.00 0.16 H new ATOM 0 HD11 LEU A 44 2.196 -10.076 -3.568 1.00 0.16 H new ATOM 0 HD12 LEU A 44 2.597 -9.654 -1.886 1.00 0.16 H new ATOM 0 HD13 LEU A 44 2.689 -8.415 -3.160 1.00 0.16 H new ATOM 0 HD21 LEU A 44 3.973 -10.255 -5.267 1.00 0.23 H new ATOM 0 HD22 LEU A 44 4.537 -8.602 -4.923 1.00 0.23 H new ATOM 0 HD23 LEU A 44 5.673 -9.969 -4.826 1.00 0.23 H new ATOM 711 N LEU A 45 7.335 -8.860 0.070 1.00 0.12 N ATOM 712 CA LEU A 45 8.089 -8.068 1.033 1.00 0.13 C ATOM 713 C LEU A 45 9.580 -8.294 0.830 1.00 0.13 C ATOM 714 O LEU A 45 10.348 -7.350 0.658 1.00 0.15 O ATOM 715 CB LEU A 45 7.705 -8.463 2.460 1.00 0.15 C ATOM 716 CG LEU A 45 7.349 -7.307 3.396 1.00 0.14 C ATOM 717 CD1 LEU A 45 7.121 -7.827 4.806 1.00 0.18 C ATOM 718 CD2 LEU A 45 8.440 -6.246 3.393 1.00 0.14 C ATOM 0 H LEU A 45 6.719 -9.557 0.488 1.00 0.12 H new ATOM 0 HA LEU A 45 7.855 -7.015 0.879 1.00 0.13 H new ATOM 0 HB2 LEU A 45 6.854 -9.143 2.413 1.00 0.15 H new ATOM 0 HB3 LEU A 45 8.533 -9.019 2.899 1.00 0.15 H new ATOM 0 HG LEU A 45 6.429 -6.846 3.035 1.00 0.14 H new ATOM 0 HD11 LEU A 45 6.868 -6.996 5.464 1.00 0.18 H new ATOM 0 HD12 LEU A 45 6.303 -8.547 4.800 1.00 0.18 H new ATOM 0 HD13 LEU A 45 8.028 -8.312 5.166 1.00 0.18 H new ATOM 0 HD21 LEU A 45 8.161 -5.436 4.067 1.00 0.14 H new ATOM 0 HD22 LEU A 45 9.379 -6.688 3.726 1.00 0.14 H new ATOM 0 HD23 LEU A 45 8.562 -5.853 2.384 1.00 0.14 H new ATOM 730 N ALA A 46 9.973 -9.562 0.854 1.00 0.14 N ATOM 731 CA ALA A 46 11.366 -9.946 0.664 1.00 0.15 C ATOM 732 C ALA A 46 11.865 -9.507 -0.707 1.00 0.15 C ATOM 733 O ALA A 46 13.047 -9.211 -0.885 1.00 0.20 O ATOM 734 CB ALA A 46 11.515 -11.451 0.817 1.00 0.16 C ATOM 0 H ALA A 46 9.340 -10.348 1.005 1.00 0.14 H new ATOM 0 HA ALA A 46 11.968 -9.448 1.424 1.00 0.15 H new ATOM 0 HB1 ALA A 46 12.559 -11.730 0.674 1.00 0.16 H new ATOM 0 HB2 ALA A 46 11.194 -11.749 1.815 1.00 0.16 H new ATOM 0 HB3 ALA A 46 10.899 -11.955 0.072 1.00 0.16 H new ATOM 740 N GLU A 47 10.953 -9.469 -1.670 1.00 0.13 N ATOM 741 CA GLU A 47 11.285 -9.070 -3.031 1.00 0.15 C ATOM 742 C GLU A 47 11.443 -7.560 -3.120 1.00 0.13 C ATOM 743 O GLU A 47 12.181 -7.049 -3.963 1.00 0.17 O ATOM 744 CB GLU A 47 10.200 -9.538 -4.002 1.00 0.18 C ATOM 745 CG GLU A 47 10.167 -11.044 -4.197 1.00 0.28 C ATOM 746 CD GLU A 47 9.174 -11.469 -5.260 1.00 1.24 C ATOM 747 OE1 GLU A 47 7.995 -11.698 -4.912 1.00 2.19 O ATOM 748 OE2 GLU A 47 9.572 -11.571 -6.439 1.00 1.09 O ATOM 0 H GLU A 47 9.972 -9.711 -1.532 1.00 0.13 H new ATOM 0 HA GLU A 47 12.230 -9.538 -3.304 1.00 0.15 H new ATOM 0 HB2 GLU A 47 9.229 -9.206 -3.636 1.00 0.18 H new ATOM 0 HB3 GLU A 47 10.357 -9.058 -4.968 1.00 0.18 H new ATOM 0 HG2 GLU A 47 11.162 -11.393 -4.473 1.00 0.28 H new ATOM 0 HG3 GLU A 47 9.911 -11.524 -3.252 1.00 0.28 H new ATOM 755 N ALA A 48 10.743 -6.853 -2.242 1.00 0.10 N ATOM 756 CA ALA A 48 10.804 -5.400 -2.211 1.00 0.10 C ATOM 757 C ALA A 48 12.033 -4.937 -1.444 1.00 0.11 C ATOM 758 O ALA A 48 12.666 -3.946 -1.803 1.00 0.12 O ATOM 759 CB ALA A 48 9.538 -4.830 -1.593 1.00 0.11 C ATOM 0 H ALA A 48 10.126 -7.264 -1.542 1.00 0.10 H new ATOM 0 HA ALA A 48 10.881 -5.033 -3.234 1.00 0.10 H new ATOM 0 HB1 ALA A 48 9.599 -3.742 -1.577 1.00 0.11 H new ATOM 0 HB2 ALA A 48 8.675 -5.136 -2.184 1.00 0.11 H new ATOM 0 HB3 ALA A 48 9.431 -5.202 -0.574 1.00 0.11 H new ATOM 765 N LYS A 49 12.356 -5.660 -0.378 1.00 0.12 N ATOM 766 CA LYS A 49 13.523 -5.354 0.434 1.00 0.14 C ATOM 767 C LYS A 49 14.787 -5.675 -0.352 1.00 0.14 C ATOM 768 O LYS A 49 15.792 -4.970 -0.260 1.00 0.17 O ATOM 769 CB LYS A 49 13.486 -6.167 1.725 1.00 0.14 C ATOM 770 CG LYS A 49 12.300 -5.835 2.614 1.00 0.14 C ATOM 771 CD LYS A 49 12.301 -6.670 3.885 1.00 0.16 C ATOM 772 CE LYS A 49 11.769 -8.071 3.632 1.00 0.16 C ATOM 773 NZ LYS A 49 11.749 -8.890 4.875 1.00 0.21 N ATOM 0 H LYS A 49 11.821 -6.467 -0.056 1.00 0.12 H new ATOM 0 HA LYS A 49 13.519 -4.294 0.688 1.00 0.14 H new ATOM 0 HB2 LYS A 49 13.459 -7.228 1.477 1.00 0.14 H new ATOM 0 HB3 LYS A 49 14.407 -5.994 2.281 1.00 0.14 H new ATOM 0 HG2 LYS A 49 12.324 -4.777 2.873 1.00 0.14 H new ATOM 0 HG3 LYS A 49 11.374 -6.008 2.065 1.00 0.14 H new ATOM 0 HD2 LYS A 49 13.315 -6.731 4.281 1.00 0.16 H new ATOM 0 HD3 LYS A 49 11.691 -6.180 4.644 1.00 0.16 H new ATOM 0 HE2 LYS A 49 10.761 -8.008 3.222 1.00 0.16 H new ATOM 0 HE3 LYS A 49 12.387 -8.564 2.882 1.00 0.16 H new ATOM 0 HZ1 LYS A 49 11.380 -9.838 4.660 1.00 0.21 H new ATOM 0 HZ2 LYS A 49 12.715 -8.972 5.252 1.00 0.21 H new ATOM 0 HZ3 LYS A 49 11.139 -8.433 5.582 1.00 0.21 H new ATOM 787 N LYS A 50 14.713 -6.754 -1.124 1.00 0.13 N ATOM 788 CA LYS A 50 15.825 -7.188 -1.958 1.00 0.16 C ATOM 789 C LYS A 50 16.036 -6.200 -3.098 1.00 0.16 C ATOM 790 O LYS A 50 17.163 -5.956 -3.530 1.00 0.22 O ATOM 791 CB LYS A 50 15.536 -8.580 -2.524 1.00 0.17 C ATOM 792 CG LYS A 50 16.588 -9.074 -3.505 1.00 0.52 C ATOM 793 CD LYS A 50 16.219 -10.429 -4.090 1.00 0.51 C ATOM 794 CE LYS A 50 16.225 -11.520 -3.029 1.00 1.36 C ATOM 795 NZ LYS A 50 17.556 -11.654 -2.375 1.00 2.10 N ATOM 0 H LYS A 50 13.886 -7.348 -1.188 1.00 0.13 H new ATOM 0 HA LYS A 50 16.730 -7.229 -1.352 1.00 0.16 H new ATOM 0 HB2 LYS A 50 15.460 -9.289 -1.699 1.00 0.17 H new ATOM 0 HB3 LYS A 50 14.567 -8.565 -3.022 1.00 0.17 H new ATOM 0 HG2 LYS A 50 16.703 -8.349 -4.311 1.00 0.52 H new ATOM 0 HG3 LYS A 50 17.551 -9.146 -3.000 1.00 0.52 H new ATOM 0 HD2 LYS A 50 15.231 -10.371 -4.547 1.00 0.51 H new ATOM 0 HD3 LYS A 50 16.922 -10.687 -4.882 1.00 0.51 H new ATOM 0 HE2 LYS A 50 15.471 -11.296 -2.274 1.00 1.36 H new ATOM 0 HE3 LYS A 50 15.947 -12.471 -3.485 1.00 1.36 H new ATOM 0 HZ1 LYS A 50 17.592 -12.545 -1.840 1.00 2.10 H new ATOM 0 HZ2 LYS A 50 18.301 -11.656 -3.101 1.00 2.10 H new ATOM 0 HZ3 LYS A 50 17.706 -10.855 -1.727 1.00 2.10 H new ATOM 809 N LEU A 51 14.933 -5.638 -3.577 1.00 0.14 N ATOM 810 CA LEU A 51 14.965 -4.671 -4.664 1.00 0.15 C ATOM 811 C LEU A 51 15.425 -3.312 -4.156 1.00 0.15 C ATOM 812 O LEU A 51 16.177 -2.604 -4.827 1.00 0.18 O ATOM 813 CB LEU A 51 13.576 -4.555 -5.289 1.00 0.15 C ATOM 814 CG LEU A 51 13.482 -3.676 -6.538 1.00 0.18 C ATOM 815 CD1 LEU A 51 14.493 -4.117 -7.588 1.00 0.23 C ATOM 816 CD2 LEU A 51 12.072 -3.722 -7.104 1.00 0.18 C ATOM 0 H LEU A 51 13.997 -5.839 -3.225 1.00 0.14 H new ATOM 0 HA LEU A 51 15.672 -5.013 -5.419 1.00 0.15 H new ATOM 0 HB2 LEU A 51 13.228 -5.556 -5.544 1.00 0.15 H new ATOM 0 HB3 LEU A 51 12.891 -4.161 -4.538 1.00 0.15 H new ATOM 0 HG LEU A 51 13.714 -2.649 -6.256 1.00 0.18 H new ATOM 0 HD11 LEU A 51 14.407 -3.478 -8.467 1.00 0.23 H new ATOM 0 HD12 LEU A 51 15.500 -4.039 -7.179 1.00 0.23 H new ATOM 0 HD13 LEU A 51 14.296 -5.151 -7.871 1.00 0.23 H new ATOM 0 HD21 LEU A 51 12.016 -3.093 -7.993 1.00 0.18 H new ATOM 0 HD22 LEU A 51 11.820 -4.749 -7.370 1.00 0.18 H new ATOM 0 HD23 LEU A 51 11.368 -3.357 -6.356 1.00 0.18 H new ATOM 828 N ASN A 52 14.966 -2.958 -2.963 1.00 0.15 N ATOM 829 CA ASN A 52 15.328 -1.690 -2.347 1.00 0.18 C ATOM 830 C ASN A 52 16.815 -1.676 -2.035 1.00 0.17 C ATOM 831 O ASN A 52 17.444 -0.620 -1.985 1.00 0.17 O ATOM 832 CB ASN A 52 14.518 -1.472 -1.066 1.00 0.26 C ATOM 833 CG ASN A 52 14.828 -0.143 -0.403 1.00 0.36 C ATOM 834 OD1 ASN A 52 14.188 0.868 -0.686 1.00 0.79 O ATOM 835 ND2 ASN A 52 15.813 -0.141 0.488 1.00 0.21 N ATOM 0 H ASN A 52 14.340 -3.534 -2.401 1.00 0.15 H new ATOM 0 HA ASN A 52 15.102 -0.881 -3.042 1.00 0.18 H new ATOM 0 HB2 ASN A 52 13.454 -1.519 -1.300 1.00 0.26 H new ATOM 0 HB3 ASN A 52 14.726 -2.281 -0.366 1.00 0.26 H new ATOM 0 HD21 ASN A 52 16.065 0.723 0.968 1.00 0.21 H new ATOM 0 HD22 ASN A 52 16.318 -1.004 0.692 1.00 0.21 H new ATOM 842 N ASP A 53 17.369 -2.865 -1.826 1.00 0.18 N ATOM 843 CA ASP A 53 18.785 -3.008 -1.531 1.00 0.20 C ATOM 844 C ASP A 53 19.583 -3.091 -2.825 1.00 0.22 C ATOM 845 O ASP A 53 20.792 -2.860 -2.842 1.00 0.25 O ATOM 846 CB ASP A 53 19.032 -4.255 -0.679 1.00 0.23 C ATOM 847 CG ASP A 53 20.489 -4.407 -0.286 1.00 0.28 C ATOM 848 OD1 ASP A 53 20.886 -3.839 0.753 1.00 0.34 O ATOM 849 OD2 ASP A 53 21.232 -5.096 -1.016 1.00 0.34 O ATOM 0 H ASP A 53 16.855 -3.745 -1.856 1.00 0.18 H new ATOM 0 HA ASP A 53 19.112 -2.134 -0.968 1.00 0.20 H new ATOM 0 HB2 ASP A 53 18.419 -4.204 0.221 1.00 0.23 H new ATOM 0 HB3 ASP A 53 18.714 -5.139 -1.232 1.00 0.23 H new ATOM 854 N ALA A 54 18.888 -3.425 -3.910 1.00 0.22 N ATOM 855 CA ALA A 54 19.513 -3.539 -5.221 1.00 0.26 C ATOM 856 C ALA A 54 19.795 -2.162 -5.804 1.00 0.28 C ATOM 857 O ALA A 54 20.755 -1.974 -6.552 1.00 0.32 O ATOM 858 CB ALA A 54 18.624 -4.338 -6.161 1.00 0.27 C ATOM 0 H ALA A 54 17.887 -3.622 -3.904 1.00 0.22 H new ATOM 0 HA ALA A 54 20.462 -4.063 -5.105 1.00 0.26 H new ATOM 0 HB1 ALA A 54 19.103 -4.415 -7.137 1.00 0.27 H new ATOM 0 HB2 ALA A 54 18.468 -5.337 -5.753 1.00 0.27 H new ATOM 0 HB3 ALA A 54 17.663 -3.835 -6.268 1.00 0.27 H new ATOM 864 N GLN A 55 18.948 -1.201 -5.453 1.00 0.27 N ATOM 865 CA GLN A 55 19.092 0.166 -5.936 1.00 0.31 C ATOM 866 C GLN A 55 19.765 1.042 -4.886 1.00 0.33 C ATOM 867 O GLN A 55 19.997 2.229 -5.109 1.00 0.41 O ATOM 868 CB GLN A 55 17.722 0.739 -6.295 1.00 0.32 C ATOM 869 CG GLN A 55 16.917 -0.153 -7.225 1.00 0.32 C ATOM 870 CD GLN A 55 15.606 0.476 -7.654 1.00 0.36 C ATOM 871 OE1 GLN A 55 15.135 0.255 -8.770 1.00 0.61 O ATOM 872 NE2 GLN A 55 15.004 1.259 -6.766 1.00 0.29 N ATOM 0 H GLN A 55 18.151 -1.345 -4.833 1.00 0.27 H new ATOM 0 HA GLN A 55 19.720 0.153 -6.827 1.00 0.31 H new ATOM 0 HB2 GLN A 55 17.154 0.902 -5.379 1.00 0.32 H new ATOM 0 HB3 GLN A 55 17.856 1.713 -6.765 1.00 0.32 H new ATOM 0 HG2 GLN A 55 17.513 -0.379 -8.109 1.00 0.32 H new ATOM 0 HG3 GLN A 55 16.714 -1.101 -6.726 1.00 0.32 H new ATOM 0 HE21 GLN A 55 15.430 1.415 -5.852 1.00 0.29 H new ATOM 0 HE22 GLN A 55 14.116 1.704 -6.998 1.00 0.29 H new ATOM 881 N ALA A 56 20.071 0.444 -3.738 1.00 0.28 N ATOM 882 CA ALA A 56 20.715 1.163 -2.646 1.00 0.31 C ATOM 883 C ALA A 56 22.080 1.705 -3.073 1.00 0.39 C ATOM 884 O ALA A 56 22.810 1.047 -3.814 1.00 0.44 O ATOM 885 CB ALA A 56 20.864 0.254 -1.435 1.00 0.29 C ATOM 0 H ALA A 56 19.882 -0.539 -3.541 1.00 0.28 H new ATOM 0 HA ALA A 56 20.084 2.010 -2.378 1.00 0.31 H new ATOM 0 HB1 ALA A 56 21.346 0.802 -0.626 1.00 0.29 H new ATOM 0 HB2 ALA A 56 19.880 -0.082 -1.109 1.00 0.29 H new ATOM 0 HB3 ALA A 56 21.473 -0.610 -1.701 1.00 0.29 H new ATOM 891 N PRO A 57 22.441 2.919 -2.610 1.00 0.45 N ATOM 892 CA PRO A 57 23.724 3.544 -2.948 1.00 0.54 C ATOM 893 C PRO A 57 24.904 2.818 -2.311 1.00 0.63 C ATOM 894 O PRO A 57 24.778 1.675 -1.872 1.00 0.83 O ATOM 895 CB PRO A 57 23.609 4.966 -2.380 1.00 0.68 C ATOM 896 CG PRO A 57 22.172 5.146 -2.018 1.00 0.61 C ATOM 897 CD PRO A 57 21.636 3.775 -1.728 1.00 0.47 C ATOM 0 HA PRO A 57 23.909 3.519 -4.022 1.00 0.54 H new ATOM 0 HB2 PRO A 57 24.250 5.091 -1.508 1.00 0.68 H new ATOM 0 HB3 PRO A 57 23.923 5.707 -3.115 1.00 0.68 H new ATOM 0 HG2 PRO A 57 22.068 5.796 -1.149 1.00 0.61 H new ATOM 0 HG3 PRO A 57 21.621 5.614 -2.834 1.00 0.61 H new ATOM 0 HD2 PRO A 57 21.760 3.506 -0.679 1.00 0.47 H new ATOM 0 HD3 PRO A 57 20.572 3.701 -1.953 1.00 0.47 H new ATOM 905 N LYS A 58 26.050 3.491 -2.263 1.00 0.75 N ATOM 906 CA LYS A 58 27.254 2.909 -1.680 1.00 0.91 C ATOM 907 C LYS A 58 27.189 2.941 -0.156 1.00 1.37 C ATOM 908 O LYS A 58 27.610 3.959 0.433 1.00 1.85 O ATOM 909 CB LYS A 58 28.497 3.658 -2.167 1.00 1.12 C ATOM 910 CG LYS A 58 28.684 3.609 -3.675 1.00 2.01 C ATOM 911 CD LYS A 58 29.956 4.324 -4.101 1.00 2.90 C ATOM 912 CE LYS A 58 30.151 4.261 -5.607 1.00 3.59 C ATOM 913 NZ LYS A 58 30.227 2.858 -6.099 1.00 4.27 N ATOM 914 OXT LYS A 58 26.719 1.946 0.436 1.00 2.03 O ATOM 0 H LYS A 58 26.170 4.439 -2.620 1.00 0.75 H new ATOM 0 HA LYS A 58 27.318 1.869 -2.001 1.00 0.91 H new ATOM 0 HB2 LYS A 58 28.431 4.699 -1.851 1.00 1.12 H new ATOM 0 HB3 LYS A 58 29.378 3.234 -1.686 1.00 1.12 H new ATOM 0 HG2 LYS A 58 28.721 2.571 -4.005 1.00 2.01 H new ATOM 0 HG3 LYS A 58 27.825 4.069 -4.165 1.00 2.01 H new ATOM 0 HD2 LYS A 58 29.914 5.365 -3.781 1.00 2.90 H new ATOM 0 HD3 LYS A 58 30.813 3.872 -3.603 1.00 2.90 H new ATOM 0 HE2 LYS A 58 29.327 4.775 -6.102 1.00 3.59 H new ATOM 0 HE3 LYS A 58 31.065 4.790 -5.877 1.00 3.59 H new ATOM 0 HZ1 LYS A 58 30.608 2.850 -7.067 1.00 4.27 H new ATOM 0 HZ2 LYS A 58 30.850 2.305 -5.477 1.00 4.27 H new ATOM 0 HZ3 LYS A 58 29.276 2.438 -6.098 1.00 4.27 H new TER 928 LYS A 58 ATOM 929 N VAL B 101 10.842 6.666 1.733 1.00 3.48 N ATOM 930 CA VAL B 101 11.412 7.826 2.463 1.00 2.61 C ATOM 931 C VAL B 101 10.516 8.224 3.633 1.00 2.18 C ATOM 932 O VAL B 101 9.349 8.566 3.445 1.00 2.41 O ATOM 933 CB VAL B 101 11.594 9.038 1.528 1.00 2.67 C ATOM 934 CG1 VAL B 101 12.288 10.178 2.256 1.00 2.50 C ATOM 935 CG2 VAL B 101 12.371 8.641 0.282 1.00 3.29 C ATOM 0 HA VAL B 101 12.388 7.522 2.843 1.00 2.61 H new ATOM 0 HB VAL B 101 10.608 9.383 1.219 1.00 2.67 H new ATOM 0 HG11 VAL B 101 12.407 11.024 1.578 1.00 2.50 H new ATOM 0 HG12 VAL B 101 11.687 10.482 3.113 1.00 2.50 H new ATOM 0 HG13 VAL B 101 13.268 9.847 2.599 1.00 2.50 H new ATOM 0 HG21 VAL B 101 12.489 9.510 -0.365 1.00 3.29 H new ATOM 0 HG22 VAL B 101 13.353 8.267 0.570 1.00 3.29 H new ATOM 0 HG23 VAL B 101 11.828 7.862 -0.252 1.00 3.29 H new ATOM 947 N ASP B 102 11.072 8.174 4.840 1.00 1.82 N ATOM 948 CA ASP B 102 10.325 8.523 6.044 1.00 1.99 C ATOM 949 C ASP B 102 10.004 10.013 6.083 1.00 1.57 C ATOM 950 O ASP B 102 9.046 10.433 6.731 1.00 1.98 O ATOM 951 CB ASP B 102 11.116 8.128 7.293 1.00 2.35 C ATOM 952 CG ASP B 102 10.379 8.464 8.575 1.00 3.09 C ATOM 953 OD1 ASP B 102 10.531 9.602 9.065 1.00 3.65 O ATOM 954 OD2 ASP B 102 9.647 7.590 9.085 1.00 3.25 O ATOM 0 H ASP B 102 12.038 7.895 5.010 1.00 1.82 H new ATOM 0 HA ASP B 102 9.385 7.972 6.025 1.00 1.99 H new ATOM 0 HB2 ASP B 102 11.322 7.058 7.266 1.00 2.35 H new ATOM 0 HB3 ASP B 102 12.079 8.639 7.286 1.00 2.35 H new ATOM 959 N ASN B 103 10.811 10.808 5.388 1.00 1.11 N ATOM 960 CA ASN B 103 10.610 12.251 5.347 1.00 1.29 C ATOM 961 C ASN B 103 9.309 12.605 4.630 1.00 1.11 C ATOM 962 O ASN B 103 8.866 13.753 4.665 1.00 1.40 O ATOM 963 CB ASN B 103 11.791 12.936 4.654 1.00 1.77 C ATOM 964 CG ASN B 103 13.098 12.718 5.391 1.00 2.19 C ATOM 965 OD1 ASN B 103 13.474 13.506 6.259 1.00 2.84 O ATOM 966 ND2 ASN B 103 13.800 11.645 5.047 1.00 2.04 N ATOM 0 H ASN B 103 11.609 10.477 4.846 1.00 1.11 H new ATOM 0 HA ASN B 103 10.544 12.608 6.375 1.00 1.29 H new ATOM 0 HB2 ASN B 103 11.883 12.555 3.637 1.00 1.77 H new ATOM 0 HB3 ASN B 103 11.594 14.005 4.578 1.00 1.77 H new ATOM 0 HD21 ASN B 103 14.688 11.448 5.508 1.00 2.04 H new ATOM 0 HD22 ASN B 103 13.451 11.018 4.322 1.00 2.04 H new ATOM 973 N LYS B 104 8.699 11.615 3.981 1.00 0.91 N ATOM 974 CA LYS B 104 7.448 11.831 3.261 1.00 0.83 C ATOM 975 C LYS B 104 6.247 11.646 4.185 1.00 0.58 C ATOM 976 O LYS B 104 5.592 12.615 4.566 1.00 0.72 O ATOM 977 CB LYS B 104 7.341 10.877 2.069 1.00 0.98 C ATOM 978 CG LYS B 104 8.481 11.017 1.072 1.00 1.29 C ATOM 979 CD LYS B 104 8.254 10.163 -0.167 1.00 1.55 C ATOM 980 CE LYS B 104 8.244 8.678 0.165 1.00 1.61 C ATOM 981 NZ LYS B 104 8.144 7.837 -1.060 1.00 2.12 N ATOM 0 H LYS B 104 9.050 10.658 3.940 1.00 0.91 H new ATOM 0 HA LYS B 104 7.447 12.857 2.893 1.00 0.83 H new ATOM 0 HB2 LYS B 104 7.315 9.851 2.437 1.00 0.98 H new ATOM 0 HB3 LYS B 104 6.396 11.055 1.555 1.00 0.98 H new ATOM 0 HG2 LYS B 104 8.582 12.062 0.780 1.00 1.29 H new ATOM 0 HG3 LYS B 104 9.418 10.727 1.547 1.00 1.29 H new ATOM 0 HD2 LYS B 104 7.306 10.438 -0.630 1.00 1.55 H new ATOM 0 HD3 LYS B 104 9.037 10.367 -0.898 1.00 1.55 H new ATOM 0 HE2 LYS B 104 9.153 8.421 0.709 1.00 1.61 H new ATOM 0 HE3 LYS B 104 7.405 8.459 0.825 1.00 1.61 H new ATOM 0 HZ1 LYS B 104 8.072 6.836 -0.789 1.00 2.12 H new ATOM 0 HZ2 LYS B 104 7.299 8.111 -1.601 1.00 2.12 H new ATOM 0 HZ3 LYS B 104 8.991 7.976 -1.647 1.00 2.12 H new ATOM 995 N PHE B 105 5.962 10.396 4.540 1.00 0.46 N ATOM 996 CA PHE B 105 4.841 10.089 5.421 1.00 0.37 C ATOM 997 C PHE B 105 5.314 9.898 6.859 1.00 0.57 C ATOM 998 O PHE B 105 6.506 9.735 7.114 1.00 1.14 O ATOM 999 CB PHE B 105 4.106 8.837 4.935 1.00 0.49 C ATOM 1000 CG PHE B 105 5.009 7.668 4.670 1.00 0.71 C ATOM 1001 CD1 PHE B 105 5.382 6.819 5.699 1.00 0.98 C ATOM 1002 CD2 PHE B 105 5.486 7.421 3.394 1.00 0.86 C ATOM 1003 CE1 PHE B 105 6.214 5.742 5.458 1.00 1.19 C ATOM 1004 CE2 PHE B 105 6.318 6.346 3.147 1.00 1.10 C ATOM 1005 CZ PHE B 105 6.674 5.500 4.179 1.00 1.19 C ATOM 0 H PHE B 105 6.492 9.581 4.231 1.00 0.46 H new ATOM 0 HA PHE B 105 4.151 10.933 5.397 1.00 0.37 H new ATOM 0 HB2 PHE B 105 3.365 8.550 5.681 1.00 0.49 H new ATOM 0 HB3 PHE B 105 3.562 9.078 4.022 1.00 0.49 H new ATOM 0 HD1 PHE B 105 5.019 7.000 6.700 1.00 0.98 H new ATOM 0 HD2 PHE B 105 5.205 8.076 2.583 1.00 0.86 H new ATOM 0 HE1 PHE B 105 6.504 5.091 6.269 1.00 1.19 H new ATOM 0 HE2 PHE B 105 6.689 6.168 2.149 1.00 1.10 H new ATOM 0 HZ PHE B 105 7.312 4.650 3.986 1.00 1.19 H new ATOM 1015 N ASN B 106 4.369 9.916 7.795 1.00 0.51 N ATOM 1016 CA ASN B 106 4.688 9.753 9.209 1.00 0.67 C ATOM 1017 C ASN B 106 3.673 8.839 9.889 1.00 0.67 C ATOM 1018 O ASN B 106 3.993 7.715 10.274 1.00 0.82 O ATOM 1019 CB ASN B 106 4.706 11.113 9.912 1.00 0.81 C ATOM 1020 CG ASN B 106 4.736 12.271 8.933 1.00 0.84 C ATOM 1021 OD1 ASN B 106 5.805 12.732 8.530 1.00 1.17 O ATOM 1022 ND2 ASN B 106 3.559 12.750 8.548 1.00 0.78 N ATOM 0 H ASN B 106 3.376 10.042 7.599 1.00 0.51 H new ATOM 0 HA ASN B 106 5.676 9.299 9.282 1.00 0.67 H new ATOM 0 HB2 ASN B 106 3.825 11.202 10.548 1.00 0.81 H new ATOM 0 HB3 ASN B 106 5.577 11.170 10.564 1.00 0.81 H new ATOM 0 HD21 ASN B 106 3.516 13.531 7.893 1.00 0.78 H new ATOM 0 HD22 ASN B 106 2.698 12.337 8.907 1.00 0.78 H new ATOM 1029 N LYS B 107 2.450 9.337 10.037 1.00 0.62 N ATOM 1030 CA LYS B 107 1.382 8.571 10.664 1.00 0.63 C ATOM 1031 C LYS B 107 0.078 8.714 9.888 1.00 0.54 C ATOM 1032 O LYS B 107 -0.393 7.762 9.272 1.00 0.45 O ATOM 1033 CB LYS B 107 1.178 9.034 12.105 1.00 0.79 C ATOM 1034 CG LYS B 107 0.083 8.273 12.838 1.00 0.80 C ATOM 1035 CD LYS B 107 -0.215 8.888 14.197 1.00 1.00 C ATOM 1036 CE LYS B 107 -0.812 10.282 14.066 1.00 1.07 C ATOM 1037 NZ LYS B 107 -2.075 10.274 13.279 1.00 1.78 N ATOM 0 H LYS B 107 2.175 10.270 9.730 1.00 0.62 H new ATOM 0 HA LYS B 107 1.673 7.521 10.660 1.00 0.63 H new ATOM 0 HB2 LYS B 107 2.115 8.922 12.650 1.00 0.79 H new ATOM 0 HB3 LYS B 107 0.934 10.096 12.106 1.00 0.79 H new ATOM 0 HG2 LYS B 107 -0.824 8.268 12.234 1.00 0.80 H new ATOM 0 HG3 LYS B 107 0.386 7.234 12.967 1.00 0.80 H new ATOM 0 HD2 LYS B 107 -0.906 8.246 14.743 1.00 1.00 H new ATOM 0 HD3 LYS B 107 0.703 8.939 14.782 1.00 1.00 H new ATOM 0 HE2 LYS B 107 -1.006 10.689 15.059 1.00 1.07 H new ATOM 0 HE3 LYS B 107 -0.090 10.942 13.586 1.00 1.07 H new ATOM 0 HZ1 LYS B 107 -2.587 11.165 13.436 1.00 1.78 H new ATOM 0 HZ2 LYS B 107 -1.853 10.175 12.268 1.00 1.78 H new ATOM 0 HZ3 LYS B 107 -2.668 9.476 13.583 1.00 1.78 H new ATOM 1051 N GLU B 108 -0.495 9.915 9.925 1.00 0.61 N ATOM 1052 CA GLU B 108 -1.751 10.199 9.234 1.00 0.62 C ATOM 1053 C GLU B 108 -1.747 9.658 7.807 1.00 0.49 C ATOM 1054 O GLU B 108 -2.763 9.163 7.319 1.00 0.53 O ATOM 1055 CB GLU B 108 -2.006 11.705 9.217 1.00 0.74 C ATOM 1056 CG GLU B 108 -2.284 12.286 10.591 1.00 0.87 C ATOM 1057 CD GLU B 108 -2.547 13.779 10.553 1.00 1.09 C ATOM 1058 OE1 GLU B 108 -3.698 14.173 10.268 1.00 1.16 O ATOM 1059 OE2 GLU B 108 -1.601 14.554 10.806 1.00 1.37 O ATOM 0 H GLU B 108 -0.107 10.712 10.430 1.00 0.61 H new ATOM 0 HA GLU B 108 -2.550 9.696 9.778 1.00 0.62 H new ATOM 0 HB2 GLU B 108 -1.140 12.208 8.787 1.00 0.74 H new ATOM 0 HB3 GLU B 108 -2.853 11.915 8.564 1.00 0.74 H new ATOM 0 HG2 GLU B 108 -3.146 11.780 11.027 1.00 0.87 H new ATOM 0 HG3 GLU B 108 -1.434 12.087 11.244 1.00 0.87 H new ATOM 1066 N THR B 109 -0.601 9.757 7.145 1.00 0.39 N ATOM 1067 CA THR B 109 -0.465 9.279 5.774 1.00 0.28 C ATOM 1068 C THR B 109 -0.499 7.754 5.716 1.00 0.25 C ATOM 1069 O THR B 109 -1.052 7.170 4.784 1.00 0.27 O ATOM 1070 CB THR B 109 0.848 9.776 5.138 1.00 0.25 C ATOM 1071 OG1 THR B 109 0.928 11.204 5.235 1.00 0.33 O ATOM 1072 CG2 THR B 109 0.940 9.358 3.679 1.00 0.27 C ATOM 0 H THR B 109 0.249 10.164 7.535 1.00 0.39 H new ATOM 0 HA THR B 109 -1.309 9.679 5.213 1.00 0.28 H new ATOM 0 HB THR B 109 1.680 9.325 5.680 1.00 0.25 H new ATOM 0 HG1 THR B 109 1.868 11.476 5.296 1.00 0.33 H new ATOM 0 HG21 THR B 109 1.876 9.722 3.255 1.00 0.27 H new ATOM 0 HG22 THR B 109 0.908 8.271 3.609 1.00 0.27 H new ATOM 0 HG23 THR B 109 0.102 9.782 3.126 1.00 0.27 H new ATOM 1080 N GLN B 110 0.095 7.117 6.719 1.00 0.30 N ATOM 1081 CA GLN B 110 0.144 5.660 6.787 1.00 0.32 C ATOM 1082 C GLN B 110 -1.227 5.065 7.104 1.00 0.30 C ATOM 1083 O GLN B 110 -1.599 4.025 6.560 1.00 0.30 O ATOM 1084 CB GLN B 110 1.161 5.217 7.839 1.00 0.42 C ATOM 1085 CG GLN B 110 2.605 5.453 7.418 1.00 0.48 C ATOM 1086 CD GLN B 110 3.598 5.210 8.540 1.00 0.85 C ATOM 1087 OE1 GLN B 110 4.663 5.824 8.580 1.00 1.34 O ATOM 1088 NE2 GLN B 110 3.260 4.310 9.456 1.00 1.38 N ATOM 0 H GLN B 110 0.551 7.589 7.500 1.00 0.30 H new ATOM 0 HA GLN B 110 0.450 5.292 5.808 1.00 0.32 H new ATOM 0 HB2 GLN B 110 0.969 5.753 8.768 1.00 0.42 H new ATOM 0 HB3 GLN B 110 1.019 4.157 8.047 1.00 0.42 H new ATOM 0 HG2 GLN B 110 2.845 4.798 6.580 1.00 0.48 H new ATOM 0 HG3 GLN B 110 2.711 6.478 7.062 1.00 0.48 H new ATOM 0 HE21 GLN B 110 2.367 3.822 9.387 1.00 1.38 H new ATOM 0 HE22 GLN B 110 3.894 4.106 10.229 1.00 1.38 H new ATOM 1097 N GLU B 111 -1.975 5.726 7.984 1.00 0.30 N ATOM 1098 CA GLU B 111 -3.299 5.251 8.362 1.00 0.30 C ATOM 1099 C GLU B 111 -4.223 5.258 7.154 1.00 0.28 C ATOM 1100 O GLU B 111 -5.010 4.333 6.950 1.00 0.39 O ATOM 1101 CB GLU B 111 -3.875 6.133 9.467 1.00 0.34 C ATOM 1102 CG GLU B 111 -2.900 6.393 10.599 1.00 0.38 C ATOM 1103 CD GLU B 111 -2.552 5.137 11.373 1.00 1.19 C ATOM 1104 OE1 GLU B 111 -3.431 4.627 12.102 1.00 1.04 O ATOM 1105 OE2 GLU B 111 -1.404 4.662 11.251 1.00 2.25 O ATOM 0 H GLU B 111 -1.687 6.588 8.446 1.00 0.30 H new ATOM 0 HA GLU B 111 -3.214 4.230 8.733 1.00 0.30 H new ATOM 0 HB2 GLU B 111 -4.184 7.086 9.037 1.00 0.34 H new ATOM 0 HB3 GLU B 111 -4.770 5.660 9.870 1.00 0.34 H new ATOM 0 HG2 GLU B 111 -1.987 6.829 10.193 1.00 0.38 H new ATOM 0 HG3 GLU B 111 -3.329 7.128 11.281 1.00 0.38 H new ATOM 1112 N ALA B 112 -4.116 6.314 6.358 1.00 0.20 N ATOM 1113 CA ALA B 112 -4.927 6.457 5.158 1.00 0.17 C ATOM 1114 C ALA B 112 -4.515 5.437 4.103 1.00 0.13 C ATOM 1115 O ALA B 112 -5.338 4.986 3.306 1.00 0.13 O ATOM 1116 CB ALA B 112 -4.802 7.869 4.611 1.00 0.17 C ATOM 0 H ALA B 112 -3.472 7.087 6.524 1.00 0.20 H new ATOM 0 HA ALA B 112 -5.969 6.272 5.419 1.00 0.17 H new ATOM 0 HB1 ALA B 112 -5.412 7.967 3.713 1.00 0.17 H new ATOM 0 HB2 ALA B 112 -5.144 8.582 5.362 1.00 0.17 H new ATOM 0 HB3 ALA B 112 -3.760 8.073 4.365 1.00 0.17 H new ATOM 1122 N SER B 113 -3.235 5.081 4.105 1.00 0.13 N ATOM 1123 CA SER B 113 -2.710 4.109 3.153 1.00 0.11 C ATOM 1124 C SER B 113 -3.292 2.727 3.425 1.00 0.10 C ATOM 1125 O SER B 113 -3.746 2.041 2.509 1.00 0.12 O ATOM 1126 CB SER B 113 -1.182 4.057 3.234 1.00 0.15 C ATOM 1127 OG SER B 113 -0.613 5.326 2.968 1.00 0.92 O ATOM 0 H SER B 113 -2.542 5.451 4.755 1.00 0.13 H new ATOM 0 HA SER B 113 -3.001 4.420 2.150 1.00 0.11 H new ATOM 0 HB2 SER B 113 -0.879 3.720 4.225 1.00 0.15 H new ATOM 0 HB3 SER B 113 -0.802 3.328 2.519 1.00 0.15 H new ATOM 0 HG SER B 113 -0.636 5.872 3.782 1.00 0.92 H new ATOM 1133 N TRP B 114 -3.281 2.326 4.692 1.00 0.10 N ATOM 1134 CA TRP B 114 -3.809 1.027 5.088 1.00 0.10 C ATOM 1135 C TRP B 114 -5.302 0.932 4.785 1.00 0.12 C ATOM 1136 O TRP B 114 -5.770 -0.071 4.248 1.00 0.16 O ATOM 1137 CB TRP B 114 -3.549 0.777 6.576 1.00 0.13 C ATOM 1138 CG TRP B 114 -4.009 -0.570 7.044 1.00 0.14 C ATOM 1139 CD1 TRP B 114 -4.909 -0.831 8.036 1.00 0.17 C ATOM 1140 CD2 TRP B 114 -3.589 -1.841 6.539 1.00 0.16 C ATOM 1141 NE1 TRP B 114 -5.080 -2.187 8.173 1.00 0.19 N ATOM 1142 CE2 TRP B 114 -4.280 -2.828 7.265 1.00 0.19 C ATOM 1143 CE3 TRP B 114 -2.697 -2.241 5.541 1.00 0.17 C ATOM 1144 CZ2 TRP B 114 -4.109 -4.189 7.023 1.00 0.22 C ATOM 1145 CZ3 TRP B 114 -2.527 -3.591 5.301 1.00 0.21 C ATOM 1146 CH2 TRP B 114 -3.229 -4.550 6.040 1.00 0.23 C ATOM 0 H TRP B 114 -2.912 2.883 5.462 1.00 0.10 H new ATOM 0 HA TRP B 114 -3.295 0.259 4.510 1.00 0.10 H new ATOM 0 HB2 TRP B 114 -2.481 0.876 6.772 1.00 0.13 H new ATOM 0 HB3 TRP B 114 -4.053 1.547 7.159 1.00 0.13 H new ATOM 0 HD1 TRP B 114 -5.413 -0.081 8.627 1.00 0.17 H new ATOM 0 HE1 TRP B 114 -5.701 -2.642 8.842 1.00 0.19 H new ATOM 0 HE3 TRP B 114 -2.150 -1.508 4.967 1.00 0.17 H new ATOM 0 HZ2 TRP B 114 -4.651 -4.931 7.590 1.00 0.22 H new ATOM 0 HZ3 TRP B 114 -1.841 -3.911 4.531 1.00 0.21 H new ATOM 0 HH2 TRP B 114 -3.073 -5.598 5.830 1.00 0.23 H new ATOM 1157 N GLU B 115 -6.043 1.985 5.126 1.00 0.14 N ATOM 1158 CA GLU B 115 -7.482 2.022 4.882 1.00 0.18 C ATOM 1159 C GLU B 115 -7.791 1.750 3.412 1.00 0.19 C ATOM 1160 O GLU B 115 -8.778 1.090 3.085 1.00 0.33 O ATOM 1161 CB GLU B 115 -8.058 3.380 5.290 1.00 0.22 C ATOM 1162 CG GLU B 115 -8.406 3.478 6.766 1.00 0.31 C ATOM 1163 CD GLU B 115 -8.751 4.886 7.199 1.00 1.33 C ATOM 1164 OE1 GLU B 115 -7.819 5.655 7.518 1.00 2.03 O ATOM 1165 OE2 GLU B 115 -9.954 5.224 7.222 1.00 1.80 O ATOM 0 H GLU B 115 -5.670 2.823 5.572 1.00 0.14 H new ATOM 0 HA GLU B 115 -7.946 1.242 5.486 1.00 0.18 H new ATOM 0 HB2 GLU B 115 -7.337 4.159 5.043 1.00 0.22 H new ATOM 0 HB3 GLU B 115 -8.954 3.577 4.701 1.00 0.22 H new ATOM 0 HG2 GLU B 115 -9.249 2.821 6.979 1.00 0.31 H new ATOM 0 HG3 GLU B 115 -7.564 3.118 7.357 1.00 0.31 H new ATOM 1172 N ILE B 116 -6.940 2.266 2.534 1.00 0.13 N ATOM 1173 CA ILE B 116 -7.109 2.081 1.099 1.00 0.12 C ATOM 1174 C ILE B 116 -6.889 0.623 0.702 1.00 0.10 C ATOM 1175 O ILE B 116 -7.509 0.120 -0.235 1.00 0.12 O ATOM 1176 CB ILE B 116 -6.134 2.987 0.315 1.00 0.10 C ATOM 1177 CG1 ILE B 116 -6.553 4.452 0.466 1.00 0.10 C ATOM 1178 CG2 ILE B 116 -6.080 2.591 -1.153 1.00 0.11 C ATOM 1179 CD1 ILE B 116 -5.472 5.439 0.084 1.00 0.11 C ATOM 0 H ILE B 116 -6.122 2.818 2.793 1.00 0.13 H new ATOM 0 HA ILE B 116 -8.133 2.358 0.849 1.00 0.12 H new ATOM 0 HB ILE B 116 -5.133 2.860 0.728 1.00 0.10 H new ATOM 0 HG12 ILE B 116 -7.433 4.634 -0.151 1.00 0.10 H new ATOM 0 HG13 ILE B 116 -6.847 4.631 1.500 1.00 0.10 H new ATOM 0 HG21 ILE B 116 -5.386 3.245 -1.681 1.00 0.11 H new ATOM 0 HG22 ILE B 116 -5.742 1.558 -1.239 1.00 0.11 H new ATOM 0 HG23 ILE B 116 -7.073 2.685 -1.592 1.00 0.11 H new ATOM 0 HD11 ILE B 116 -5.843 6.455 0.217 1.00 0.11 H new ATOM 0 HD12 ILE B 116 -4.599 5.286 0.718 1.00 0.11 H new ATOM 0 HD13 ILE B 116 -5.194 5.288 -0.959 1.00 0.11 H new ATOM 1191 N PHE B 117 -6.010 -0.050 1.433 1.00 0.09 N ATOM 1192 CA PHE B 117 -5.688 -1.447 1.162 1.00 0.09 C ATOM 1193 C PHE B 117 -6.700 -2.390 1.813 1.00 0.11 C ATOM 1194 O PHE B 117 -6.882 -3.521 1.363 1.00 0.15 O ATOM 1195 CB PHE B 117 -4.283 -1.758 1.682 1.00 0.10 C ATOM 1196 CG PHE B 117 -3.716 -3.053 1.174 1.00 0.12 C ATOM 1197 CD1 PHE B 117 -3.961 -4.241 1.845 1.00 0.19 C ATOM 1198 CD2 PHE B 117 -2.945 -3.085 0.023 1.00 0.11 C ATOM 1199 CE1 PHE B 117 -3.446 -5.435 1.379 1.00 0.23 C ATOM 1200 CE2 PHE B 117 -2.428 -4.277 -0.448 1.00 0.13 C ATOM 1201 CZ PHE B 117 -2.657 -5.446 0.236 1.00 0.20 C ATOM 0 H PHE B 117 -5.504 0.351 2.223 1.00 0.09 H new ATOM 0 HA PHE B 117 -5.728 -1.603 0.084 1.00 0.09 H new ATOM 0 HB2 PHE B 117 -3.614 -0.945 1.400 1.00 0.10 H new ATOM 0 HB3 PHE B 117 -4.308 -1.787 2.771 1.00 0.10 H new ATOM 0 HD1 PHE B 117 -4.562 -4.233 2.743 1.00 0.19 H new ATOM 0 HD2 PHE B 117 -2.746 -2.168 -0.512 1.00 0.11 H new ATOM 0 HE1 PHE B 117 -3.656 -6.357 1.901 1.00 0.23 H new ATOM 0 HE2 PHE B 117 -1.843 -4.289 -1.356 1.00 0.13 H new ATOM 0 HZ PHE B 117 -2.225 -6.372 -0.114 1.00 0.20 H new ATOM 1211 N THR B 118 -7.361 -1.918 2.868 1.00 0.12 N ATOM 1212 CA THR B 118 -8.340 -2.733 3.583 1.00 0.16 C ATOM 1213 C THR B 118 -9.659 -2.835 2.825 1.00 0.18 C ATOM 1214 O THR B 118 -10.566 -3.558 3.241 1.00 0.34 O ATOM 1215 CB THR B 118 -8.611 -2.178 4.993 1.00 0.19 C ATOM 1216 OG1 THR B 118 -9.061 -0.819 4.910 1.00 0.26 O ATOM 1217 CG2 THR B 118 -7.359 -2.251 5.852 1.00 0.20 C ATOM 0 H THR B 118 -7.237 -0.979 3.245 1.00 0.12 H new ATOM 0 HA THR B 118 -7.906 -3.729 3.666 1.00 0.16 H new ATOM 0 HB THR B 118 -9.387 -2.788 5.455 1.00 0.19 H new ATOM 0 HG1 THR B 118 -8.908 -0.479 4.004 1.00 0.26 H new ATOM 0 HG21 THR B 118 -7.574 -1.853 6.844 1.00 0.20 H new ATOM 0 HG22 THR B 118 -7.038 -3.289 5.939 1.00 0.20 H new ATOM 0 HG23 THR B 118 -6.566 -1.663 5.390 1.00 0.20 H new ATOM 1225 N LEU B 119 -9.769 -2.114 1.715 1.00 0.14 N ATOM 1226 CA LEU B 119 -10.981 -2.141 0.909 1.00 0.14 C ATOM 1227 C LEU B 119 -11.083 -3.475 0.166 1.00 0.15 C ATOM 1228 O LEU B 119 -10.137 -3.887 -0.502 1.00 0.24 O ATOM 1229 CB LEU B 119 -10.982 -0.961 -0.064 1.00 0.16 C ATOM 1230 CG LEU B 119 -10.914 0.414 0.610 1.00 0.26 C ATOM 1231 CD1 LEU B 119 -10.746 1.517 -0.421 1.00 0.81 C ATOM 1232 CD2 LEU B 119 -12.159 0.661 1.450 1.00 1.01 C ATOM 0 H LEU B 119 -9.034 -1.505 1.354 1.00 0.14 H new ATOM 0 HA LEU B 119 -11.853 -2.048 1.556 1.00 0.14 H new ATOM 0 HB2 LEU B 119 -10.134 -1.063 -0.741 1.00 0.16 H new ATOM 0 HB3 LEU B 119 -11.884 -1.009 -0.674 1.00 0.16 H new ATOM 0 HG LEU B 119 -10.044 0.424 1.266 1.00 0.26 H new ATOM 0 HD11 LEU B 119 -10.701 2.482 0.083 1.00 0.81 H new ATOM 0 HD12 LEU B 119 -9.824 1.356 -0.980 1.00 0.81 H new ATOM 0 HD13 LEU B 119 -11.593 1.506 -1.107 1.00 0.81 H new ATOM 0 HD21 LEU B 119 -12.092 1.642 1.920 1.00 1.01 H new ATOM 0 HD22 LEU B 119 -13.042 0.624 0.812 1.00 1.01 H new ATOM 0 HD23 LEU B 119 -12.236 -0.106 2.220 1.00 1.01 H new ATOM 1244 N PRO B 120 -12.236 -4.169 0.266 1.00 0.21 N ATOM 1245 CA PRO B 120 -12.427 -5.481 -0.364 1.00 0.26 C ATOM 1246 C PRO B 120 -12.776 -5.414 -1.848 1.00 0.26 C ATOM 1247 O PRO B 120 -12.357 -6.270 -2.627 1.00 0.38 O ATOM 1248 CB PRO B 120 -13.592 -6.065 0.431 1.00 0.36 C ATOM 1249 CG PRO B 120 -14.410 -4.882 0.824 1.00 0.38 C ATOM 1250 CD PRO B 120 -13.451 -3.727 0.983 1.00 0.35 C ATOM 0 HA PRO B 120 -11.511 -6.071 -0.340 1.00 0.26 H new ATOM 0 HB2 PRO B 120 -14.171 -6.765 -0.171 1.00 0.36 H new ATOM 0 HB3 PRO B 120 -13.240 -6.612 1.306 1.00 0.36 H new ATOM 0 HG2 PRO B 120 -15.160 -4.661 0.065 1.00 0.38 H new ATOM 0 HG3 PRO B 120 -14.944 -5.073 1.755 1.00 0.38 H new ATOM 0 HD2 PRO B 120 -13.856 -2.810 0.554 1.00 0.35 H new ATOM 0 HD3 PRO B 120 -13.243 -3.523 2.033 1.00 0.35 H new ATOM 1258 N ASN B 121 -13.543 -4.404 -2.241 1.00 0.22 N ATOM 1259 CA ASN B 121 -13.949 -4.260 -3.634 1.00 0.23 C ATOM 1260 C ASN B 121 -12.792 -3.794 -4.509 1.00 0.19 C ATOM 1261 O ASN B 121 -12.756 -4.081 -5.705 1.00 0.22 O ATOM 1262 CB ASN B 121 -15.125 -3.290 -3.758 1.00 0.28 C ATOM 1263 CG ASN B 121 -16.421 -3.895 -3.260 1.00 0.50 C ATOM 1264 OD1 ASN B 121 -17.118 -4.591 -3.999 1.00 0.98 O ATOM 1265 ND2 ASN B 121 -16.756 -3.631 -2.003 1.00 0.50 N ATOM 0 H ASN B 121 -13.895 -3.676 -1.619 1.00 0.22 H new ATOM 0 HA ASN B 121 -14.263 -5.243 -3.985 1.00 0.23 H new ATOM 0 HB2 ASN B 121 -14.908 -2.384 -3.192 1.00 0.28 H new ATOM 0 HB3 ASN B 121 -15.241 -2.994 -4.801 1.00 0.28 H new ATOM 0 HD21 ASN B 121 -17.620 -4.010 -1.615 1.00 0.50 H new ATOM 0 HD22 ASN B 121 -16.149 -3.049 -1.425 1.00 0.50 H new ATOM 1272 N LEU B 122 -11.842 -3.080 -3.913 1.00 0.15 N ATOM 1273 CA LEU B 122 -10.695 -2.584 -4.659 1.00 0.13 C ATOM 1274 C LEU B 122 -9.609 -3.639 -4.781 1.00 0.16 C ATOM 1275 O LEU B 122 -9.124 -4.172 -3.783 1.00 0.24 O ATOM 1276 CB LEU B 122 -10.132 -1.329 -3.998 1.00 0.12 C ATOM 1277 CG LEU B 122 -10.582 -0.018 -4.639 1.00 0.14 C ATOM 1278 CD1 LEU B 122 -12.083 -0.027 -4.875 1.00 0.14 C ATOM 1279 CD2 LEU B 122 -10.187 1.159 -3.768 1.00 0.19 C ATOM 0 H LEU B 122 -11.845 -2.834 -2.923 1.00 0.15 H new ATOM 0 HA LEU B 122 -11.038 -2.337 -5.664 1.00 0.13 H new ATOM 0 HB2 LEU B 122 -10.425 -1.324 -2.948 1.00 0.12 H new ATOM 0 HB3 LEU B 122 -9.043 -1.377 -4.025 1.00 0.12 H new ATOM 0 HG LEU B 122 -10.084 0.084 -5.603 1.00 0.14 H new ATOM 0 HD11 LEU B 122 -12.385 0.915 -5.332 1.00 0.14 H new ATOM 0 HD12 LEU B 122 -12.342 -0.852 -5.539 1.00 0.14 H new ATOM 0 HD13 LEU B 122 -12.600 -0.151 -3.924 1.00 0.14 H new ATOM 0 HD21 LEU B 122 -10.515 2.086 -4.239 1.00 0.19 H new ATOM 0 HD22 LEU B 122 -10.658 1.062 -2.790 1.00 0.19 H new ATOM 0 HD23 LEU B 122 -9.104 1.176 -3.649 1.00 0.19 H new ATOM 1291 N ASN B 123 -9.234 -3.935 -6.020 1.00 0.16 N ATOM 1292 CA ASN B 123 -8.194 -4.919 -6.286 1.00 0.20 C ATOM 1293 C ASN B 123 -6.828 -4.340 -5.957 1.00 0.19 C ATOM 1294 O ASN B 123 -6.725 -3.273 -5.353 1.00 0.30 O ATOM 1295 CB ASN B 123 -8.218 -5.366 -7.748 1.00 0.28 C ATOM 1296 CG ASN B 123 -9.612 -5.394 -8.328 1.00 0.91 C ATOM 1297 OD1 ASN B 123 -10.000 -4.298 -8.961 1.00 1.73 O flip ATOM 1298 ND2 ASN B 123 -10.330 -6.388 -8.214 1.00 1.39 N flip ATOM 0 H ASN B 123 -9.635 -3.508 -6.855 1.00 0.16 H new ATOM 0 HA ASN B 123 -8.386 -5.786 -5.654 1.00 0.20 H new ATOM 0 HB2 ASN B 123 -7.597 -4.693 -8.339 1.00 0.28 H new ATOM 0 HB3 ASN B 123 -7.776 -6.359 -7.827 1.00 0.28 H new ATOM 0 HD21 ASN B 123 -9.987 -7.210 -7.717 1.00 1.39 H new ATOM 0 HD22 ASN B 123 -11.267 -6.389 -8.617 1.00 1.39 H new ATOM 1305 N GLY B 124 -5.783 -5.043 -6.363 1.00 0.14 N ATOM 1306 CA GLY B 124 -4.435 -4.577 -6.099 1.00 0.11 C ATOM 1307 C GLY B 124 -4.069 -3.369 -6.938 1.00 0.11 C ATOM 1308 O GLY B 124 -3.264 -2.536 -6.522 1.00 0.17 O ATOM 0 H GLY B 124 -5.842 -5.926 -6.870 1.00 0.14 H new ATOM 0 HA2 GLY B 124 -4.340 -4.325 -5.043 1.00 0.11 H new ATOM 0 HA3 GLY B 124 -3.729 -5.383 -6.299 1.00 0.11 H new ATOM 1312 N ARG B 125 -4.668 -3.275 -8.119 1.00 0.13 N ATOM 1313 CA ARG B 125 -4.399 -2.170 -9.032 1.00 0.14 C ATOM 1314 C ARG B 125 -4.951 -0.854 -8.491 1.00 0.12 C ATOM 1315 O ARG B 125 -4.209 0.109 -8.296 1.00 0.21 O ATOM 1316 CB ARG B 125 -5.013 -2.454 -10.407 1.00 0.20 C ATOM 1317 CG ARG B 125 -4.991 -3.922 -10.800 1.00 0.58 C ATOM 1318 CD ARG B 125 -5.655 -4.148 -12.148 1.00 0.90 C ATOM 1319 NE ARG B 125 -5.634 -5.556 -12.539 1.00 1.75 N ATOM 1320 CZ ARG B 125 -6.489 -6.095 -13.403 1.00 2.18 C ATOM 1321 NH1 ARG B 125 -7.433 -5.349 -13.963 1.00 1.82 N ATOM 1322 NH2 ARG B 125 -6.404 -7.383 -13.706 1.00 3.25 N ATOM 0 H ARG B 125 -5.345 -3.953 -8.468 1.00 0.13 H new ATOM 0 HA ARG B 125 -3.317 -2.078 -9.127 1.00 0.14 H new ATOM 0 HB2 ARG B 125 -6.045 -2.102 -10.413 1.00 0.20 H new ATOM 0 HB3 ARG B 125 -4.475 -1.878 -11.160 1.00 0.20 H new ATOM 0 HG2 ARG B 125 -3.960 -4.274 -10.837 1.00 0.58 H new ATOM 0 HG3 ARG B 125 -5.502 -4.511 -10.038 1.00 0.58 H new ATOM 0 HD2 ARG B 125 -6.687 -3.798 -12.107 1.00 0.90 H new ATOM 0 HD3 ARG B 125 -5.147 -3.553 -12.907 1.00 0.90 H new ATOM 0 HE ARG B 125 -4.923 -6.159 -12.126 1.00 1.75 H new ATOM 0 HH11 ARG B 125 -7.505 -4.358 -13.731 1.00 1.82 H new ATOM 0 HH12 ARG B 125 -8.087 -5.766 -14.625 1.00 1.82 H new ATOM 0 HH21 ARG B 125 -5.682 -7.961 -13.276 1.00 3.25 H new ATOM 0 HH22 ARG B 125 -7.060 -7.795 -14.369 1.00 3.25 H new ATOM 1336 N GLN B 126 -6.258 -0.826 -8.250 1.00 0.12 N ATOM 1337 CA GLN B 126 -6.928 0.369 -7.749 1.00 0.11 C ATOM 1338 C GLN B 126 -6.279 0.890 -6.468 1.00 0.09 C ATOM 1339 O GLN B 126 -5.969 2.077 -6.365 1.00 0.11 O ATOM 1340 CB GLN B 126 -8.410 0.075 -7.507 1.00 0.13 C ATOM 1341 CG GLN B 126 -9.068 -0.685 -8.647 1.00 0.26 C ATOM 1342 CD GLN B 126 -10.555 -0.883 -8.437 1.00 0.19 C ATOM 1343 OE1 GLN B 126 -10.982 -1.862 -7.827 1.00 0.77 O ATOM 1344 NE2 GLN B 126 -11.352 0.046 -8.952 1.00 0.64 N ATOM 0 H GLN B 126 -6.878 -1.623 -8.395 1.00 0.12 H new ATOM 0 HA GLN B 126 -6.830 1.146 -8.507 1.00 0.11 H new ATOM 0 HB2 GLN B 126 -8.513 -0.502 -6.588 1.00 0.13 H new ATOM 0 HB3 GLN B 126 -8.939 1.016 -7.354 1.00 0.13 H new ATOM 0 HG2 GLN B 126 -8.906 -0.145 -9.580 1.00 0.26 H new ATOM 0 HG3 GLN B 126 -8.588 -1.658 -8.755 1.00 0.26 H new ATOM 0 HE21 GLN B 126 -10.953 0.841 -9.450 1.00 0.64 H new ATOM 0 HE22 GLN B 126 -12.364 -0.036 -8.849 1.00 0.64 H new ATOM 1353 N VAL B 127 -6.076 0.005 -5.494 1.00 0.09 N ATOM 1354 CA VAL B 127 -5.472 0.400 -4.223 1.00 0.08 C ATOM 1355 C VAL B 127 -4.067 0.969 -4.424 1.00 0.08 C ATOM 1356 O VAL B 127 -3.756 2.047 -3.922 1.00 0.09 O ATOM 1357 CB VAL B 127 -5.414 -0.777 -3.219 1.00 0.09 C ATOM 1358 CG1 VAL B 127 -6.813 -1.280 -2.900 1.00 0.10 C ATOM 1359 CG2 VAL B 127 -4.547 -1.908 -3.750 1.00 0.10 C ATOM 0 H VAL B 127 -6.319 -0.984 -5.559 1.00 0.09 H new ATOM 0 HA VAL B 127 -6.113 1.177 -3.807 1.00 0.08 H new ATOM 0 HB VAL B 127 -4.961 -0.410 -2.298 1.00 0.09 H new ATOM 0 HG11 VAL B 127 -6.750 -2.107 -2.193 1.00 0.10 H new ATOM 0 HG12 VAL B 127 -7.399 -0.472 -2.462 1.00 0.10 H new ATOM 0 HG13 VAL B 127 -7.294 -1.622 -3.816 1.00 0.10 H new ATOM 0 HG21 VAL B 127 -4.525 -2.721 -3.024 1.00 0.10 H new ATOM 0 HG22 VAL B 127 -4.960 -2.273 -4.690 1.00 0.10 H new ATOM 0 HG23 VAL B 127 -3.534 -1.542 -3.917 1.00 0.10 H new ATOM 1369 N ALA B 128 -3.229 0.253 -5.173 1.00 0.09 N ATOM 1370 CA ALA B 128 -1.861 0.697 -5.432 1.00 0.10 C ATOM 1371 C ALA B 128 -1.845 2.049 -6.125 1.00 0.10 C ATOM 1372 O ALA B 128 -0.808 2.703 -6.192 1.00 0.13 O ATOM 1373 CB ALA B 128 -1.113 -0.338 -6.261 1.00 0.10 C ATOM 0 H ALA B 128 -3.473 -0.636 -5.610 1.00 0.09 H new ATOM 0 HA ALA B 128 -1.355 0.806 -4.473 1.00 0.10 H new ATOM 0 HB1 ALA B 128 -0.096 0.009 -6.445 1.00 0.10 H new ATOM 0 HB2 ALA B 128 -1.082 -1.284 -5.720 1.00 0.10 H new ATOM 0 HB3 ALA B 128 -1.625 -0.481 -7.213 1.00 0.10 H new ATOM 1379 N ALA B 129 -2.997 2.456 -6.644 1.00 0.08 N ATOM 1380 CA ALA B 129 -3.119 3.738 -7.323 1.00 0.09 C ATOM 1381 C ALA B 129 -3.458 4.838 -6.324 1.00 0.09 C ATOM 1382 O ALA B 129 -3.104 6.001 -6.518 1.00 0.12 O ATOM 1383 CB ALA B 129 -4.177 3.666 -8.411 1.00 0.10 C ATOM 0 H ALA B 129 -3.861 1.915 -6.607 1.00 0.08 H new ATOM 0 HA ALA B 129 -2.162 3.974 -7.788 1.00 0.09 H new ATOM 0 HB1 ALA B 129 -4.254 4.633 -8.908 1.00 0.10 H new ATOM 0 HB2 ALA B 129 -3.898 2.905 -9.140 1.00 0.10 H new ATOM 0 HB3 ALA B 129 -5.139 3.408 -7.967 1.00 0.10 H new ATOM 1389 N PHE B 130 -4.152 4.454 -5.257 1.00 0.08 N ATOM 1390 CA PHE B 130 -4.543 5.393 -4.212 1.00 0.08 C ATOM 1391 C PHE B 130 -3.436 5.535 -3.172 1.00 0.09 C ATOM 1392 O PHE B 130 -3.408 6.503 -2.412 1.00 0.14 O ATOM 1393 CB PHE B 130 -5.841 4.942 -3.540 1.00 0.09 C ATOM 1394 CG PHE B 130 -7.076 5.219 -4.354 1.00 0.09 C ATOM 1395 CD1 PHE B 130 -7.584 6.508 -4.463 1.00 0.11 C ATOM 1396 CD2 PHE B 130 -7.729 4.191 -5.012 1.00 0.14 C ATOM 1397 CE1 PHE B 130 -8.717 6.758 -5.214 1.00 0.13 C ATOM 1398 CE2 PHE B 130 -8.862 4.436 -5.761 1.00 0.17 C ATOM 1399 CZ PHE B 130 -9.357 5.721 -5.864 1.00 0.16 C ATOM 0 H PHE B 130 -4.456 3.494 -5.093 1.00 0.08 H new ATOM 0 HA PHE B 130 -4.710 6.365 -4.677 1.00 0.08 H new ATOM 0 HB2 PHE B 130 -5.782 3.872 -3.339 1.00 0.09 H new ATOM 0 HB3 PHE B 130 -5.933 5.443 -2.576 1.00 0.09 H new ATOM 0 HD1 PHE B 130 -7.088 7.323 -3.956 1.00 0.11 H new ATOM 0 HD2 PHE B 130 -7.347 3.184 -4.938 1.00 0.14 H new ATOM 0 HE1 PHE B 130 -9.102 7.764 -5.293 1.00 0.13 H new ATOM 0 HE2 PHE B 130 -9.361 3.623 -6.267 1.00 0.17 H new ATOM 0 HZ PHE B 130 -10.242 5.915 -6.451 1.00 0.16 H new ATOM 1409 N ILE B 131 -2.521 4.565 -3.143 1.00 0.08 N ATOM 1410 CA ILE B 131 -1.411 4.600 -2.203 1.00 0.09 C ATOM 1411 C ILE B 131 -0.342 5.503 -2.770 1.00 0.10 C ATOM 1412 O ILE B 131 0.329 6.241 -2.049 1.00 0.14 O ATOM 1413 CB ILE B 131 -0.806 3.201 -1.958 1.00 0.10 C ATOM 1414 CG1 ILE B 131 -1.890 2.210 -1.518 1.00 0.11 C ATOM 1415 CG2 ILE B 131 0.307 3.280 -0.919 1.00 0.12 C ATOM 1416 CD1 ILE B 131 -2.426 2.459 -0.126 1.00 0.13 C ATOM 0 H ILE B 131 -2.530 3.751 -3.758 1.00 0.08 H new ATOM 0 HA ILE B 131 -1.784 4.968 -1.247 1.00 0.09 H new ATOM 0 HB ILE B 131 -0.380 2.841 -2.894 1.00 0.10 H new ATOM 0 HG12 ILE B 131 -2.717 2.254 -2.227 1.00 0.11 H new ATOM 0 HG13 ILE B 131 -1.484 1.200 -1.564 1.00 0.11 H new ATOM 0 HG21 ILE B 131 0.724 2.286 -0.756 1.00 0.12 H new ATOM 0 HG22 ILE B 131 1.091 3.949 -1.275 1.00 0.12 H new ATOM 0 HG23 ILE B 131 -0.097 3.662 0.019 1.00 0.12 H new ATOM 0 HD11 ILE B 131 -3.188 1.716 0.109 1.00 0.13 H new ATOM 0 HD12 ILE B 131 -1.612 2.385 0.596 1.00 0.13 H new ATOM 0 HD13 ILE B 131 -2.865 3.456 -0.078 1.00 0.13 H new ATOM 1428 N SER B 132 -0.196 5.423 -4.087 1.00 0.11 N ATOM 1429 CA SER B 132 0.757 6.228 -4.806 1.00 0.13 C ATOM 1430 C SER B 132 0.512 7.709 -4.558 1.00 0.15 C ATOM 1431 O SER B 132 1.360 8.410 -4.004 1.00 0.21 O ATOM 1432 CB SER B 132 0.628 5.932 -6.291 1.00 0.17 C ATOM 1433 OG SER B 132 -0.448 5.050 -6.545 1.00 0.63 O ATOM 0 H SER B 132 -0.740 4.795 -4.678 1.00 0.11 H new ATOM 0 HA SER B 132 1.761 5.985 -4.458 1.00 0.13 H new ATOM 0 HB2 SER B 132 0.476 6.862 -6.838 1.00 0.17 H new ATOM 0 HB3 SER B 132 1.556 5.494 -6.659 1.00 0.17 H new ATOM 0 HG SER B 132 -0.218 4.153 -6.224 1.00 0.63 H new ATOM 1439 N SER B 133 -0.660 8.175 -4.983 1.00 0.15 N ATOM 1440 CA SER B 133 -1.045 9.575 -4.821 1.00 0.19 C ATOM 1441 C SER B 133 -0.841 10.041 -3.383 1.00 0.18 C ATOM 1442 O SER B 133 -0.517 11.201 -3.135 1.00 0.26 O ATOM 1443 CB SER B 133 -2.510 9.767 -5.218 1.00 0.23 C ATOM 1444 OG SER B 133 -2.808 11.136 -5.423 1.00 0.74 O ATOM 0 H SER B 133 -1.364 7.599 -5.445 1.00 0.15 H new ATOM 0 HA SER B 133 -0.408 10.174 -5.472 1.00 0.19 H new ATOM 0 HB2 SER B 133 -2.720 9.206 -6.129 1.00 0.23 H new ATOM 0 HB3 SER B 133 -3.157 9.364 -4.439 1.00 0.23 H new ATOM 0 HG SER B 133 -3.618 11.216 -5.969 1.00 0.74 H new ATOM 1450 N LEU B 134 -1.039 9.127 -2.439 1.00 0.13 N ATOM 1451 CA LEU B 134 -0.887 9.434 -1.021 1.00 0.13 C ATOM 1452 C LEU B 134 0.555 9.805 -0.688 1.00 0.15 C ATOM 1453 O LEU B 134 0.824 10.879 -0.149 1.00 0.21 O ATOM 1454 CB LEU B 134 -1.321 8.234 -0.176 1.00 0.14 C ATOM 1455 CG LEU B 134 -2.442 8.509 0.822 1.00 0.17 C ATOM 1456 CD1 LEU B 134 -2.792 7.239 1.577 1.00 0.22 C ATOM 1457 CD2 LEU B 134 -2.038 9.607 1.790 1.00 0.20 C ATOM 0 H LEU B 134 -1.307 8.162 -2.632 1.00 0.13 H new ATOM 0 HA LEU B 134 -1.522 10.290 -0.791 1.00 0.13 H new ATOM 0 HB2 LEU B 134 -1.641 7.436 -0.846 1.00 0.14 H new ATOM 0 HB3 LEU B 134 -0.454 7.863 0.370 1.00 0.14 H new ATOM 0 HG LEU B 134 -3.322 8.844 0.273 1.00 0.17 H new ATOM 0 HD11 LEU B 134 -3.593 7.447 2.287 1.00 0.22 H new ATOM 0 HD12 LEU B 134 -3.121 6.475 0.872 1.00 0.22 H new ATOM 0 HD13 LEU B 134 -1.914 6.882 2.115 1.00 0.22 H new ATOM 0 HD21 LEU B 134 -2.850 9.789 2.494 1.00 0.20 H new ATOM 0 HD22 LEU B 134 -1.146 9.300 2.337 1.00 0.20 H new ATOM 0 HD23 LEU B 134 -1.827 10.521 1.236 1.00 0.20 H new ATOM 1469 N LEU B 135 1.474 8.904 -1.009 1.00 0.17 N ATOM 1470 CA LEU B 135 2.893 9.120 -0.745 1.00 0.22 C ATOM 1471 C LEU B 135 3.436 10.276 -1.577 1.00 0.24 C ATOM 1472 O LEU B 135 4.442 10.891 -1.222 1.00 0.31 O ATOM 1473 CB LEU B 135 3.678 7.837 -1.044 1.00 0.26 C ATOM 1474 CG LEU B 135 3.604 6.732 0.026 1.00 0.31 C ATOM 1475 CD1 LEU B 135 2.341 6.845 0.871 1.00 0.67 C ATOM 1476 CD2 LEU B 135 3.667 5.366 -0.636 1.00 0.65 C ATOM 0 H LEU B 135 1.262 8.012 -1.455 1.00 0.17 H new ATOM 0 HA LEU B 135 3.012 9.378 0.307 1.00 0.22 H new ATOM 0 HB2 LEU B 135 3.317 7.426 -1.987 1.00 0.26 H new ATOM 0 HB3 LEU B 135 4.725 8.102 -1.192 1.00 0.26 H new ATOM 0 HG LEU B 135 4.458 6.856 0.692 1.00 0.31 H new ATOM 0 HD11 LEU B 135 2.327 6.047 1.614 1.00 0.67 H new ATOM 0 HD12 LEU B 135 2.326 7.811 1.376 1.00 0.67 H new ATOM 0 HD13 LEU B 135 1.465 6.758 0.229 1.00 0.67 H new ATOM 0 HD21 LEU B 135 3.614 4.589 0.127 1.00 0.65 H new ATOM 0 HD22 LEU B 135 2.829 5.256 -1.324 1.00 0.65 H new ATOM 0 HD23 LEU B 135 4.603 5.271 -1.186 1.00 0.65 H new ATOM 1488 N ASP B 136 2.764 10.562 -2.688 1.00 0.22 N ATOM 1489 CA ASP B 136 3.174 11.646 -3.575 1.00 0.26 C ATOM 1490 C ASP B 136 2.502 12.960 -3.184 1.00 0.25 C ATOM 1491 O ASP B 136 2.945 14.038 -3.578 1.00 0.29 O ATOM 1492 CB ASP B 136 2.834 11.296 -5.026 1.00 0.29 C ATOM 1493 CG ASP B 136 3.305 12.355 -6.005 1.00 0.37 C ATOM 1494 OD1 ASP B 136 4.534 12.508 -6.170 1.00 0.47 O ATOM 1495 OD2 ASP B 136 2.445 13.036 -6.603 1.00 0.40 O ATOM 0 H ASP B 136 1.932 10.058 -2.996 1.00 0.22 H new ATOM 0 HA ASP B 136 4.252 11.773 -3.479 1.00 0.26 H new ATOM 0 HB2 ASP B 136 3.291 10.340 -5.282 1.00 0.29 H new ATOM 0 HB3 ASP B 136 1.756 11.170 -5.123 1.00 0.29 H new ATOM 1500 N ASP B 137 1.431 12.859 -2.400 1.00 0.24 N ATOM 1501 CA ASP B 137 0.690 14.035 -1.956 1.00 0.27 C ATOM 1502 C ASP B 137 0.010 13.775 -0.612 1.00 0.22 C ATOM 1503 O ASP B 137 -1.213 13.652 -0.541 1.00 0.24 O ATOM 1504 CB ASP B 137 -0.359 14.428 -2.998 1.00 0.38 C ATOM 1505 CG ASP B 137 0.260 14.936 -4.285 1.00 1.19 C ATOM 1506 OD1 ASP B 137 0.581 16.141 -4.354 1.00 1.42 O ATOM 1507 OD2 ASP B 137 0.426 14.129 -5.223 1.00 2.13 O ATOM 0 H ASP B 137 1.057 11.973 -2.059 1.00 0.24 H new ATOM 0 HA ASP B 137 1.399 14.854 -1.835 1.00 0.27 H new ATOM 0 HB2 ASP B 137 -0.989 13.566 -3.218 1.00 0.38 H new ATOM 0 HB3 ASP B 137 -1.008 15.199 -2.582 1.00 0.38 H new ATOM 1512 N PRO B 138 0.798 13.685 0.476 1.00 0.19 N ATOM 1513 CA PRO B 138 0.267 13.437 1.822 1.00 0.21 C ATOM 1514 C PRO B 138 -0.733 14.500 2.275 1.00 0.22 C ATOM 1515 O PRO B 138 -1.368 14.355 3.320 1.00 0.31 O ATOM 1516 CB PRO B 138 1.510 13.472 2.716 1.00 0.24 C ATOM 1517 CG PRO B 138 2.651 13.202 1.798 1.00 0.25 C ATOM 1518 CD PRO B 138 2.266 13.804 0.478 1.00 0.23 C ATOM 0 HA PRO B 138 -0.283 12.497 1.861 1.00 0.21 H new ATOM 0 HB2 PRO B 138 1.617 14.440 3.205 1.00 0.24 H new ATOM 0 HB3 PRO B 138 1.451 12.721 3.504 1.00 0.24 H new ATOM 0 HG2 PRO B 138 3.571 13.647 2.177 1.00 0.25 H new ATOM 0 HG3 PRO B 138 2.830 12.131 1.702 1.00 0.25 H new ATOM 0 HD2 PRO B 138 2.587 14.843 0.399 1.00 0.23 H new ATOM 0 HD3 PRO B 138 2.716 13.267 -0.357 1.00 0.23 H new ATOM 1526 N SER B 139 -0.873 15.567 1.491 1.00 0.20 N ATOM 1527 CA SER B 139 -1.791 16.637 1.826 1.00 0.22 C ATOM 1528 C SER B 139 -3.210 16.253 1.437 1.00 0.19 C ATOM 1529 O SER B 139 -4.173 16.615 2.113 1.00 0.19 O ATOM 1530 CB SER B 139 -1.374 17.923 1.115 1.00 0.28 C ATOM 1531 OG SER B 139 -0.159 18.426 1.641 1.00 1.15 O ATOM 0 H SER B 139 -0.360 15.707 0.621 1.00 0.20 H new ATOM 0 HA SER B 139 -1.761 16.805 2.902 1.00 0.22 H new ATOM 0 HB2 SER B 139 -1.260 17.732 0.048 1.00 0.28 H new ATOM 0 HB3 SER B 139 -2.158 18.672 1.223 1.00 0.28 H new ATOM 0 HG SER B 139 0.087 19.248 1.168 1.00 1.15 H new ATOM 1537 N GLN B 140 -3.329 15.516 0.338 1.00 0.18 N ATOM 1538 CA GLN B 140 -4.626 15.070 -0.146 1.00 0.17 C ATOM 1539 C GLN B 140 -4.990 13.715 0.442 1.00 0.15 C ATOM 1540 O GLN B 140 -5.910 13.056 -0.027 1.00 0.14 O ATOM 1541 CB GLN B 140 -4.633 14.988 -1.669 1.00 0.21 C ATOM 1542 CG GLN B 140 -4.410 16.328 -2.334 1.00 0.26 C ATOM 1543 CD GLN B 140 -2.974 16.540 -2.746 1.00 1.09 C ATOM 1544 OE1 GLN B 140 -2.177 17.061 -1.825 1.00 1.74 O flip ATOM 1545 NE2 GLN B 140 -2.584 16.238 -3.875 1.00 1.37 N flip ATOM 0 H GLN B 140 -2.540 15.215 -0.234 1.00 0.18 H new ATOM 0 HA GLN B 140 -5.369 15.801 0.174 1.00 0.17 H new ATOM 0 HB2 GLN B 140 -3.858 14.294 -1.994 1.00 0.21 H new ATOM 0 HB3 GLN B 140 -5.587 14.578 -2.001 1.00 0.21 H new ATOM 0 HG2 GLN B 140 -5.051 16.405 -3.212 1.00 0.26 H new ATOM 0 HG3 GLN B 140 -4.709 17.123 -1.651 1.00 0.26 H new ATOM 0 HE21 GLN B 140 -3.236 15.839 -4.550 1.00 1.37 H new ATOM 0 HE22 GLN B 140 -1.609 16.387 -4.134 1.00 1.37 H new ATOM 1554 N SER B 141 -4.253 13.311 1.471 1.00 0.15 N ATOM 1555 CA SER B 141 -4.470 12.027 2.133 1.00 0.13 C ATOM 1556 C SER B 141 -5.951 11.745 2.375 1.00 0.13 C ATOM 1557 O SER B 141 -6.483 10.746 1.897 1.00 0.18 O ATOM 1558 CB SER B 141 -3.718 11.993 3.464 1.00 0.15 C ATOM 1559 OG SER B 141 -3.966 10.786 4.163 1.00 1.01 O ATOM 0 H SER B 141 -3.491 13.860 1.869 1.00 0.15 H new ATOM 0 HA SER B 141 -4.090 11.251 1.468 1.00 0.13 H new ATOM 0 HB2 SER B 141 -2.648 12.098 3.283 1.00 0.15 H new ATOM 0 HB3 SER B 141 -4.022 12.841 4.078 1.00 0.15 H new ATOM 0 HG SER B 141 -3.472 10.791 5.009 1.00 1.01 H new ATOM 1565 N ALA B 142 -6.608 12.625 3.121 1.00 0.16 N ATOM 1566 CA ALA B 142 -8.023 12.455 3.431 1.00 0.17 C ATOM 1567 C ALA B 142 -8.883 12.462 2.171 1.00 0.17 C ATOM 1568 O ALA B 142 -9.939 11.832 2.132 1.00 0.18 O ATOM 1569 CB ALA B 142 -8.487 13.538 4.392 1.00 0.20 C ATOM 0 H ALA B 142 -6.185 13.462 3.522 1.00 0.16 H new ATOM 0 HA ALA B 142 -8.141 11.481 3.906 1.00 0.17 H new ATOM 0 HB1 ALA B 142 -9.545 13.398 4.614 1.00 0.20 H new ATOM 0 HB2 ALA B 142 -7.911 13.476 5.315 1.00 0.20 H new ATOM 0 HB3 ALA B 142 -8.338 14.517 3.936 1.00 0.20 H new ATOM 1575 N ASN B 143 -8.429 13.174 1.144 1.00 0.17 N ATOM 1576 CA ASN B 143 -9.176 13.261 -0.106 1.00 0.18 C ATOM 1577 C ASN B 143 -8.918 12.041 -0.978 1.00 0.16 C ATOM 1578 O ASN B 143 -9.735 11.680 -1.823 1.00 0.17 O ATOM 1579 CB ASN B 143 -8.799 14.530 -0.865 1.00 0.20 C ATOM 1580 CG ASN B 143 -8.913 15.774 -0.006 1.00 0.23 C ATOM 1581 OD1 ASN B 143 -7.826 16.128 0.670 1.00 0.26 O flip ATOM 1582 ND2 ASN B 143 -9.967 16.409 0.051 1.00 0.23 N flip ATOM 0 H ASN B 143 -7.553 13.696 1.152 1.00 0.17 H new ATOM 0 HA ASN B 143 -10.238 13.295 0.138 1.00 0.18 H new ATOM 0 HB2 ASN B 143 -7.777 14.439 -1.234 1.00 0.20 H new ATOM 0 HB3 ASN B 143 -9.445 14.634 -1.737 1.00 0.20 H new ATOM 0 HD21 ASN B 143 -10.778 16.101 -0.486 1.00 0.23 H new ATOM 0 HD22 ASN B 143 -10.029 17.243 0.635 1.00 0.23 H new ATOM 1589 N LEU B 144 -7.772 11.413 -0.759 1.00 0.14 N ATOM 1590 CA LEU B 144 -7.371 10.240 -1.515 1.00 0.12 C ATOM 1591 C LEU B 144 -7.989 8.990 -0.915 1.00 0.11 C ATOM 1592 O LEU B 144 -8.370 8.063 -1.631 1.00 0.13 O ATOM 1593 CB LEU B 144 -5.849 10.150 -1.526 1.00 0.12 C ATOM 1594 CG LEU B 144 -5.158 11.255 -2.327 1.00 0.13 C ATOM 1595 CD1 LEU B 144 -3.667 11.250 -2.056 1.00 0.14 C ATOM 1596 CD2 LEU B 144 -5.435 11.089 -3.813 1.00 0.14 C ATOM 0 H LEU B 144 -7.096 11.703 -0.053 1.00 0.14 H new ATOM 0 HA LEU B 144 -7.727 10.324 -2.542 1.00 0.12 H new ATOM 0 HB2 LEU B 144 -5.488 10.182 -0.498 1.00 0.12 H new ATOM 0 HB3 LEU B 144 -5.557 9.183 -1.936 1.00 0.12 H new ATOM 0 HG LEU B 144 -5.561 12.217 -2.010 1.00 0.13 H new ATOM 0 HD11 LEU B 144 -3.190 12.042 -2.633 1.00 0.14 H new ATOM 0 HD12 LEU B 144 -3.490 11.418 -0.994 1.00 0.14 H new ATOM 0 HD13 LEU B 144 -3.248 10.287 -2.346 1.00 0.14 H new ATOM 0 HD21 LEU B 144 -4.936 11.884 -4.367 1.00 0.14 H new ATOM 0 HD22 LEU B 144 -5.059 10.122 -4.147 1.00 0.14 H new ATOM 0 HD23 LEU B 144 -6.509 11.142 -3.991 1.00 0.14 H new ATOM 1608 N LEU B 145 -8.084 8.973 0.406 1.00 0.11 N ATOM 1609 CA LEU B 145 -8.692 7.860 1.110 1.00 0.11 C ATOM 1610 C LEU B 145 -10.197 7.951 0.927 1.00 0.12 C ATOM 1611 O LEU B 145 -10.904 6.944 0.911 1.00 0.11 O ATOM 1612 CB LEU B 145 -8.316 7.893 2.596 1.00 0.12 C ATOM 1613 CG LEU B 145 -9.209 7.068 3.528 1.00 0.13 C ATOM 1614 CD1 LEU B 145 -9.258 5.613 3.089 1.00 0.15 C ATOM 1615 CD2 LEU B 145 -8.713 7.172 4.961 1.00 0.16 C ATOM 0 H LEU B 145 -7.746 9.721 1.011 1.00 0.11 H new ATOM 0 HA LEU B 145 -8.329 6.915 0.706 1.00 0.11 H new ATOM 0 HB2 LEU B 145 -7.290 7.540 2.700 1.00 0.12 H new ATOM 0 HB3 LEU B 145 -8.332 8.930 2.932 1.00 0.12 H new ATOM 0 HG LEU B 145 -10.220 7.471 3.475 1.00 0.13 H new ATOM 0 HD11 LEU B 145 -9.899 5.050 3.767 1.00 0.15 H new ATOM 0 HD12 LEU B 145 -9.658 5.552 2.077 1.00 0.15 H new ATOM 0 HD13 LEU B 145 -8.252 5.193 3.107 1.00 0.15 H new ATOM 0 HD21 LEU B 145 -9.357 6.581 5.613 1.00 0.16 H new ATOM 0 HD22 LEU B 145 -7.692 6.795 5.021 1.00 0.16 H new ATOM 0 HD23 LEU B 145 -8.734 8.214 5.279 1.00 0.16 H new ATOM 1627 N ALA B 146 -10.671 9.184 0.780 1.00 0.16 N ATOM 1628 CA ALA B 146 -12.083 9.439 0.555 1.00 0.17 C ATOM 1629 C ALA B 146 -12.497 8.847 -0.784 1.00 0.16 C ATOM 1630 O ALA B 146 -13.461 8.090 -0.868 1.00 0.17 O ATOM 1631 CB ALA B 146 -12.363 10.936 0.586 1.00 0.20 C ATOM 0 H ALA B 146 -10.092 10.023 0.813 1.00 0.16 H new ATOM 0 HA ALA B 146 -12.664 8.969 1.348 1.00 0.17 H new ATOM 0 HB1 ALA B 146 -13.425 11.111 0.416 1.00 0.20 H new ATOM 0 HB2 ALA B 146 -12.080 11.339 1.558 1.00 0.20 H new ATOM 0 HB3 ALA B 146 -11.784 11.431 -0.194 1.00 0.20 H new ATOM 1637 N GLU B 147 -11.739 9.190 -1.826 1.00 0.18 N ATOM 1638 CA GLU B 147 -12.001 8.694 -3.170 1.00 0.19 C ATOM 1639 C GLU B 147 -11.990 7.180 -3.170 1.00 0.16 C ATOM 1640 O GLU B 147 -12.881 6.534 -3.720 1.00 0.18 O ATOM 1641 CB GLU B 147 -10.931 9.206 -4.133 1.00 0.27 C ATOM 1642 CG GLU B 147 -10.965 10.708 -4.338 1.00 0.18 C ATOM 1643 CD GLU B 147 -11.985 11.136 -5.374 1.00 0.39 C ATOM 1644 OE1 GLU B 147 -11.665 11.076 -6.581 1.00 0.57 O ATOM 1645 OE2 GLU B 147 -13.103 11.529 -4.981 1.00 0.62 O ATOM 0 H GLU B 147 -10.935 9.814 -1.760 1.00 0.18 H new ATOM 0 HA GLU B 147 -12.979 9.051 -3.492 1.00 0.19 H new ATOM 0 HB2 GLU B 147 -9.949 8.922 -3.755 1.00 0.27 H new ATOM 0 HB3 GLU B 147 -11.057 8.713 -5.097 1.00 0.27 H new ATOM 0 HG2 GLU B 147 -11.191 11.195 -3.389 1.00 0.18 H new ATOM 0 HG3 GLU B 147 -9.977 11.051 -4.644 1.00 0.18 H new ATOM 1652 N ALA B 148 -10.956 6.628 -2.551 1.00 0.13 N ATOM 1653 CA ALA B 148 -10.798 5.189 -2.446 1.00 0.12 C ATOM 1654 C ALA B 148 -12.068 4.545 -1.908 1.00 0.14 C ATOM 1655 O ALA B 148 -12.531 3.532 -2.430 1.00 0.20 O ATOM 1656 CB ALA B 148 -9.615 4.866 -1.552 1.00 0.11 C ATOM 0 H ALA B 148 -10.208 7.164 -2.110 1.00 0.13 H new ATOM 0 HA ALA B 148 -10.611 4.783 -3.440 1.00 0.12 H new ATOM 0 HB1 ALA B 148 -9.501 3.785 -1.476 1.00 0.11 H new ATOM 0 HB2 ALA B 148 -8.709 5.298 -1.977 1.00 0.11 H new ATOM 0 HB3 ALA B 148 -9.784 5.283 -0.559 1.00 0.11 H new ATOM 1662 N LYS B 149 -12.623 5.138 -0.855 1.00 0.14 N ATOM 1663 CA LYS B 149 -13.850 4.631 -0.255 1.00 0.17 C ATOM 1664 C LYS B 149 -15.034 4.853 -1.192 1.00 0.17 C ATOM 1665 O LYS B 149 -15.979 4.066 -1.205 1.00 0.22 O ATOM 1666 CB LYS B 149 -14.103 5.299 1.098 1.00 0.24 C ATOM 1667 CG LYS B 149 -13.386 4.614 2.251 1.00 0.34 C ATOM 1668 CD LYS B 149 -13.636 5.326 3.568 1.00 0.42 C ATOM 1669 CE LYS B 149 -12.633 6.442 3.788 1.00 0.59 C ATOM 1670 NZ LYS B 149 -12.970 7.269 4.979 1.00 1.01 N ATOM 0 H LYS B 149 -12.242 5.968 -0.401 1.00 0.14 H new ATOM 0 HA LYS B 149 -13.736 3.559 -0.092 1.00 0.17 H new ATOM 0 HB2 LYS B 149 -13.783 6.340 1.047 1.00 0.24 H new ATOM 0 HB3 LYS B 149 -15.175 5.305 1.298 1.00 0.24 H new ATOM 0 HG2 LYS B 149 -13.723 3.580 2.326 1.00 0.34 H new ATOM 0 HG3 LYS B 149 -12.315 4.587 2.049 1.00 0.34 H new ATOM 0 HD2 LYS B 149 -14.646 5.735 3.577 1.00 0.42 H new ATOM 0 HD3 LYS B 149 -13.574 4.611 4.388 1.00 0.42 H new ATOM 0 HE2 LYS B 149 -11.638 6.015 3.913 1.00 0.59 H new ATOM 0 HE3 LYS B 149 -12.598 7.078 2.903 1.00 0.59 H new ATOM 0 HZ1 LYS B 149 -12.259 8.020 5.093 1.00 1.01 H new ATOM 0 HZ2 LYS B 149 -13.909 7.698 4.850 1.00 1.01 H new ATOM 0 HZ3 LYS B 149 -12.978 6.668 5.828 1.00 1.01 H new ATOM 1684 N LYS B 150 -14.978 5.933 -1.971 1.00 0.17 N ATOM 1685 CA LYS B 150 -16.039 6.236 -2.924 1.00 0.20 C ATOM 1686 C LYS B 150 -16.021 5.223 -4.063 1.00 0.21 C ATOM 1687 O LYS B 150 -17.039 4.973 -4.706 1.00 0.30 O ATOM 1688 CB LYS B 150 -15.881 7.650 -3.488 1.00 0.25 C ATOM 1689 CG LYS B 150 -15.995 8.744 -2.438 1.00 0.72 C ATOM 1690 CD LYS B 150 -16.290 10.099 -3.065 1.00 0.81 C ATOM 1691 CE LYS B 150 -17.685 10.146 -3.670 1.00 1.28 C ATOM 1692 NZ LYS B 150 -18.008 11.494 -4.213 1.00 1.99 N ATOM 0 H LYS B 150 -14.213 6.608 -1.960 1.00 0.17 H new ATOM 0 HA LYS B 150 -16.993 6.178 -2.401 1.00 0.20 H new ATOM 0 HB2 LYS B 150 -14.911 7.729 -3.979 1.00 0.25 H new ATOM 0 HB3 LYS B 150 -16.640 7.813 -4.253 1.00 0.25 H new ATOM 0 HG2 LYS B 150 -16.786 8.490 -1.732 1.00 0.72 H new ATOM 0 HG3 LYS B 150 -15.067 8.801 -1.869 1.00 0.72 H new ATOM 0 HD2 LYS B 150 -16.194 10.879 -2.309 1.00 0.81 H new ATOM 0 HD3 LYS B 150 -15.551 10.312 -3.837 1.00 0.81 H new ATOM 0 HE2 LYS B 150 -17.761 9.406 -4.467 1.00 1.28 H new ATOM 0 HE3 LYS B 150 -18.419 9.874 -2.912 1.00 1.28 H new ATOM 0 HZ1 LYS B 150 -18.967 11.485 -4.616 1.00 1.99 H new ATOM 0 HZ2 LYS B 150 -17.961 12.197 -3.448 1.00 1.99 H new ATOM 0 HZ3 LYS B 150 -17.323 11.743 -4.955 1.00 1.99 H new ATOM 1706 N LEU B 151 -14.846 4.647 -4.304 1.00 0.16 N ATOM 1707 CA LEU B 151 -14.675 3.653 -5.356 1.00 0.16 C ATOM 1708 C LEU B 151 -15.086 2.276 -4.853 1.00 0.15 C ATOM 1709 O LEU B 151 -15.835 1.556 -5.511 1.00 0.18 O ATOM 1710 CB LEU B 151 -13.216 3.624 -5.825 1.00 0.16 C ATOM 1711 CG LEU B 151 -12.921 2.660 -6.978 1.00 0.16 C ATOM 1712 CD1 LEU B 151 -13.873 2.901 -8.137 1.00 0.18 C ATOM 1713 CD2 LEU B 151 -11.476 2.801 -7.431 1.00 0.18 C ATOM 0 H LEU B 151 -13.995 4.854 -3.781 1.00 0.16 H new ATOM 0 HA LEU B 151 -15.312 3.925 -6.198 1.00 0.16 H new ATOM 0 HB2 LEU B 151 -12.929 4.630 -6.131 1.00 0.16 H new ATOM 0 HB3 LEU B 151 -12.584 3.357 -4.978 1.00 0.16 H new ATOM 0 HG LEU B 151 -13.072 1.641 -6.622 1.00 0.16 H new ATOM 0 HD11 LEU B 151 -13.646 2.206 -8.945 1.00 0.18 H new ATOM 0 HD12 LEU B 151 -14.899 2.747 -7.803 1.00 0.18 H new ATOM 0 HD13 LEU B 151 -13.758 3.924 -8.496 1.00 0.18 H new ATOM 0 HD21 LEU B 151 -11.283 2.109 -8.251 1.00 0.18 H new ATOM 0 HD22 LEU B 151 -11.298 3.822 -7.768 1.00 0.18 H new ATOM 0 HD23 LEU B 151 -10.810 2.573 -6.599 1.00 0.18 H new ATOM 1725 N ASN B 152 -14.577 1.919 -3.681 1.00 0.13 N ATOM 1726 CA ASN B 152 -14.892 0.636 -3.064 1.00 0.14 C ATOM 1727 C ASN B 152 -16.395 0.498 -2.850 1.00 0.17 C ATOM 1728 O ASN B 152 -16.989 -0.519 -3.206 1.00 0.21 O ATOM 1729 CB ASN B 152 -14.153 0.494 -1.732 1.00 0.20 C ATOM 1730 CG ASN B 152 -14.356 -0.871 -1.105 1.00 0.39 C ATOM 1731 OD1 ASN B 152 -13.675 -1.832 -1.456 1.00 1.39 O ATOM 1732 ND2 ASN B 152 -15.289 -0.960 -0.163 1.00 0.69 N ATOM 0 H ASN B 152 -13.942 2.502 -3.136 1.00 0.13 H new ATOM 0 HA ASN B 152 -14.565 -0.159 -3.735 1.00 0.14 H new ATOM 0 HB2 ASN B 152 -13.088 0.664 -1.890 1.00 0.20 H new ATOM 0 HB3 ASN B 152 -14.500 1.264 -1.042 1.00 0.20 H new ATOM 0 HD21 ASN B 152 -15.463 -1.852 0.300 1.00 0.69 H new ATOM 0 HD22 ASN B 152 -15.831 -0.136 0.097 1.00 0.69 H new ATOM 1739 N ASP B 153 -17.003 1.530 -2.272 1.00 0.18 N ATOM 1740 CA ASP B 153 -18.438 1.524 -2.017 1.00 0.23 C ATOM 1741 C ASP B 153 -19.213 1.537 -3.330 1.00 0.25 C ATOM 1742 O ASP B 153 -20.362 1.100 -3.391 1.00 0.31 O ATOM 1743 CB ASP B 153 -18.833 2.731 -1.162 1.00 0.28 C ATOM 1744 CG ASP B 153 -20.320 2.769 -0.865 1.00 1.20 C ATOM 1745 OD1 ASP B 153 -20.740 2.162 0.143 1.00 1.04 O ATOM 1746 OD2 ASP B 153 -21.064 3.407 -1.640 1.00 2.25 O ATOM 0 H ASP B 153 -16.524 2.379 -1.972 1.00 0.18 H new ATOM 0 HA ASP B 153 -18.686 0.612 -1.473 1.00 0.23 H new ATOM 0 HB2 ASP B 153 -18.279 2.705 -0.224 1.00 0.28 H new ATOM 0 HB3 ASP B 153 -18.545 3.647 -1.677 1.00 0.28 H new ATOM 1751 N ALA B 154 -18.573 2.044 -4.380 1.00 0.23 N ATOM 1752 CA ALA B 154 -19.192 2.115 -5.698 1.00 0.28 C ATOM 1753 C ALA B 154 -19.421 0.721 -6.268 1.00 0.30 C ATOM 1754 O ALA B 154 -20.544 0.361 -6.624 1.00 0.35 O ATOM 1755 CB ALA B 154 -18.328 2.938 -6.641 1.00 0.28 C ATOM 0 H ALA B 154 -17.623 2.413 -4.342 1.00 0.23 H new ATOM 0 HA ALA B 154 -20.162 2.602 -5.594 1.00 0.28 H new ATOM 0 HB1 ALA B 154 -18.801 2.983 -7.622 1.00 0.28 H new ATOM 0 HB2 ALA B 154 -18.217 3.947 -6.245 1.00 0.28 H new ATOM 0 HB3 ALA B 154 -17.346 2.474 -6.733 1.00 0.28 H new ATOM 1761 N GLN B 155 -18.350 -0.061 -6.352 1.00 0.30 N ATOM 1762 CA GLN B 155 -18.434 -1.417 -6.877 1.00 0.35 C ATOM 1763 C GLN B 155 -19.065 -2.353 -5.852 1.00 0.36 C ATOM 1764 O GLN B 155 -19.594 -3.408 -6.204 1.00 0.44 O ATOM 1765 CB GLN B 155 -17.043 -1.927 -7.257 1.00 0.35 C ATOM 1766 CG GLN B 155 -16.282 -0.996 -8.186 1.00 0.36 C ATOM 1767 CD GLN B 155 -14.941 -1.568 -8.601 1.00 0.41 C ATOM 1768 OE1 GLN B 155 -13.916 -1.314 -7.796 1.00 0.51 O flip ATOM 1769 NE2 GLN B 155 -14.828 -2.237 -9.628 1.00 0.39 N flip ATOM 0 H GLN B 155 -17.414 0.222 -6.063 1.00 0.30 H new ATOM 0 HA GLN B 155 -19.062 -1.398 -7.768 1.00 0.35 H new ATOM 0 HB2 GLN B 155 -16.460 -2.075 -6.348 1.00 0.35 H new ATOM 0 HB3 GLN B 155 -17.141 -2.902 -7.735 1.00 0.35 H new ATOM 0 HG2 GLN B 155 -16.883 -0.802 -9.075 1.00 0.36 H new ATOM 0 HG3 GLN B 155 -16.128 -0.038 -7.690 1.00 0.36 H new ATOM 0 HE21 GLN B 155 -15.643 -2.408 -10.218 1.00 0.39 H new ATOM 0 HE22 GLN B 155 -13.920 -2.621 -9.889 1.00 0.39 H new ATOM 1778 N ALA B 156 -19.002 -1.958 -4.583 1.00 0.31 N ATOM 1779 CA ALA B 156 -19.567 -2.756 -3.500 1.00 0.34 C ATOM 1780 C ALA B 156 -21.040 -3.067 -3.755 1.00 0.47 C ATOM 1781 O ALA B 156 -21.712 -2.340 -4.487 1.00 0.56 O ATOM 1782 CB ALA B 156 -19.399 -2.029 -2.173 1.00 0.36 C ATOM 0 H ALA B 156 -18.564 -1.088 -4.280 1.00 0.31 H new ATOM 0 HA ALA B 156 -19.028 -3.703 -3.457 1.00 0.34 H new ATOM 0 HB1 ALA B 156 -19.824 -2.633 -1.371 1.00 0.36 H new ATOM 0 HB2 ALA B 156 -18.339 -1.864 -1.980 1.00 0.36 H new ATOM 0 HB3 ALA B 156 -19.914 -1.069 -2.216 1.00 0.36 H new ATOM 1788 N PRO B 157 -21.565 -4.155 -3.159 1.00 0.53 N ATOM 1789 CA PRO B 157 -22.967 -4.546 -3.339 1.00 0.68 C ATOM 1790 C PRO B 157 -23.927 -3.404 -3.023 1.00 0.79 C ATOM 1791 O PRO B 157 -24.621 -2.900 -3.906 1.00 0.89 O ATOM 1792 CB PRO B 157 -23.154 -5.692 -2.342 1.00 0.81 C ATOM 1793 CG PRO B 157 -21.786 -6.243 -2.130 1.00 0.70 C ATOM 1794 CD PRO B 157 -20.844 -5.080 -2.262 1.00 0.48 C ATOM 0 HA PRO B 157 -23.182 -4.826 -4.370 1.00 0.68 H new ATOM 0 HB2 PRO B 157 -23.586 -5.335 -1.407 1.00 0.81 H new ATOM 0 HB3 PRO B 157 -23.829 -6.452 -2.736 1.00 0.81 H new ATOM 0 HG2 PRO B 157 -21.700 -6.705 -1.146 1.00 0.70 H new ATOM 0 HG3 PRO B 157 -21.558 -7.015 -2.865 1.00 0.70 H new ATOM 0 HD2 PRO B 157 -20.635 -4.621 -1.296 1.00 0.48 H new ATOM 0 HD3 PRO B 157 -19.886 -5.385 -2.684 1.00 0.48 H new ATOM 1802 N LYS B 158 -23.957 -2.999 -1.757 1.00 0.96 N ATOM 1803 CA LYS B 158 -24.829 -1.918 -1.319 1.00 1.17 C ATOM 1804 C LYS B 158 -24.417 -0.595 -1.959 1.00 1.23 C ATOM 1805 O LYS B 158 -24.961 -0.264 -3.033 1.00 1.76 O ATOM 1806 CB LYS B 158 -24.796 -1.798 0.207 1.00 1.46 C ATOM 1807 CG LYS B 158 -25.274 -3.051 0.926 1.00 1.69 C ATOM 1808 CD LYS B 158 -26.755 -3.304 0.696 1.00 2.47 C ATOM 1809 CE LYS B 158 -27.603 -2.242 1.371 1.00 3.07 C ATOM 1810 NZ LYS B 158 -29.062 -2.500 1.204 1.00 3.60 N ATOM 1811 OXT LYS B 158 -23.553 0.099 -1.380 1.00 1.64 O ATOM 0 H LYS B 158 -23.386 -3.405 -1.016 1.00 0.96 H new ATOM 0 HA LYS B 158 -25.846 -2.150 -1.635 1.00 1.17 H new ATOM 0 HB2 LYS B 158 -23.777 -1.573 0.524 1.00 1.46 H new ATOM 0 HB3 LYS B 158 -25.417 -0.955 0.511 1.00 1.46 H new ATOM 0 HG2 LYS B 158 -24.700 -3.910 0.579 1.00 1.69 H new ATOM 0 HG3 LYS B 158 -25.084 -2.952 1.995 1.00 1.69 H new ATOM 0 HD2 LYS B 158 -26.963 -3.314 -0.374 1.00 2.47 H new ATOM 0 HD3 LYS B 158 -27.023 -4.287 1.082 1.00 2.47 H new ATOM 0 HE2 LYS B 158 -27.361 -2.206 2.433 1.00 3.07 H new ATOM 0 HE3 LYS B 158 -27.358 -1.265 0.955 1.00 3.07 H new ATOM 0 HZ1 LYS B 158 -29.604 -1.751 1.680 1.00 3.60 H new ATOM 0 HZ2 LYS B 158 -29.299 -2.509 0.191 1.00 3.60 H new ATOM 0 HZ3 LYS B 158 -29.302 -3.421 1.624 1.00 3.60 H new TER 1825 LYS B 158