USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 489 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 GLN : amide:sc= 0.0116 K(o=0.027,f=0.85) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0.0157 USER MOD Set 2.1: A 47 SER OG : rot -170:sc= 0 USER MOD Set 2.2: A 106 MET CE :methyl -175:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0.0791 K(o=0.079,f=-3.6!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 37:sc= 1.28 USER MOD Single : A 71 HIS : no HE2:sc= -0.598 X(o=-0.6,f=-0.4) USER MOD Single : A 92 TYR OH : rot 179:sc= 0.212 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc=-0.00452 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0125) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 147:sc= 0.0211 (180deg=-0.0141) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot -48:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 113 N ASP A 41 -112.916-124.802 2.797 1.00 0.00 N ATOM 114 CA ASP A 41 -113.890-124.134 3.661 1.00 0.00 C ATOM 115 C ASP A 41 -114.771-123.134 2.916 1.00 0.00 C ATOM 116 O ASP A 41 -114.351-122.482 1.949 1.00 0.00 O ATOM 117 CB ASP A 41 -113.134-123.435 4.841 1.00 0.00 C ATOM 118 CG ASP A 41 -114.028-123.090 6.044 1.00 0.00 C ATOM 119 OD1 ASP A 41 -114.646-124.030 6.610 1.00 0.00 O ATOM 120 OD2 ASP A 41 -114.094-121.887 6.410 1.00 0.00 O ATOM 0 HA ASP A 41 -114.566-124.897 4.046 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -112.327-124.086 5.177 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -112.672-122.520 4.471 1.00 0.00 H new ATOM 125 N VAL A 42 -116.026-122.959 3.453 1.00 0.00 N ATOM 126 CA VAL A 42 -117.053-121.993 3.028 1.00 0.00 C ATOM 127 C VAL A 42 -116.907-120.821 3.980 1.00 0.00 C ATOM 128 O VAL A 42 -117.084-120.936 5.191 1.00 0.00 O ATOM 129 CB VAL A 42 -118.497-122.520 3.147 1.00 0.00 C ATOM 130 CG1 VAL A 42 -119.530-121.442 2.732 1.00 0.00 C ATOM 131 CG2 VAL A 42 -118.661-123.749 2.244 1.00 0.00 C ATOM 0 H VAL A 42 -116.346-123.529 4.236 1.00 0.00 H new ATOM 0 HA VAL A 42 -116.902-121.754 1.975 1.00 0.00 H new ATOM 0 HB VAL A 42 -118.679-122.784 4.189 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -120.537-121.847 2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -119.426-120.571 3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -119.354-121.149 1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -119.681-124.126 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -118.457-123.471 1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -117.962-124.525 2.555 1.00 0.00 H new ATOM 141 N ILE A 43 -116.527-119.637 3.461 1.00 0.00 N ATOM 142 CA ILE A 43 -116.165-118.458 4.245 1.00 0.00 C ATOM 143 C ILE A 43 -117.230-117.353 4.056 1.00 0.00 C ATOM 144 O ILE A 43 -118.092-117.446 3.175 1.00 0.00 O ATOM 145 CB ILE A 43 -114.715-118.153 3.816 1.00 0.00 C ATOM 146 CG1 ILE A 43 -113.751-119.284 4.283 1.00 0.00 C ATOM 147 CG2 ILE A 43 -114.152-116.789 4.261 1.00 0.00 C ATOM 148 CD1 ILE A 43 -112.536-119.435 3.367 1.00 0.00 C ATOM 0 H ILE A 43 -116.464-119.478 2.455 1.00 0.00 H new ATOM 0 HA ILE A 43 -116.169-118.580 5.328 1.00 0.00 H new ATOM 0 HB ILE A 43 -114.770-118.104 2.728 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -113.413-119.073 5.297 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -114.294-120.228 4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -113.128-116.684 3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -114.765-115.989 3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -114.165-116.728 5.349 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -111.898-120.237 3.738 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -112.869-119.675 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -111.974-118.501 3.351 1.00 0.00 H new ATOM 160 N THR A 44 -117.232-116.275 4.904 1.00 0.00 N ATOM 161 CA THR A 44 -118.171-115.144 4.819 1.00 0.00 C ATOM 162 C THR A 44 -117.472-113.794 4.651 1.00 0.00 C ATOM 163 O THR A 44 -116.960-113.250 5.632 1.00 0.00 O ATOM 164 CB THR A 44 -119.102-115.024 6.050 1.00 0.00 C ATOM 165 OG1 THR A 44 -119.880-116.202 6.231 1.00 0.00 O ATOM 166 CG2 THR A 44 -120.132-113.877 5.917 1.00 0.00 C ATOM 0 H THR A 44 -116.566-116.182 5.671 1.00 0.00 H new ATOM 0 HA THR A 44 -118.760-115.373 3.931 1.00 0.00 H new ATOM 0 HB THR A 44 -118.425-114.842 6.885 1.00 0.00 H new ATOM 0 HG1 THR A 44 -120.456-116.096 7.017 1.00 0.00 H new ATOM 0 HG21 THR A 44 -120.756-113.843 6.810 1.00 0.00 H new ATOM 0 HG22 THR A 44 -119.607-112.928 5.804 1.00 0.00 H new ATOM 0 HG23 THR A 44 -120.759-114.051 5.043 1.00 0.00 H new ATOM 174 N PHE A 45 -117.510-113.155 3.440 1.00 0.00 N ATOM 175 CA PHE A 45 -117.140-111.732 3.279 1.00 0.00 C ATOM 176 C PHE A 45 -118.291-110.742 3.646 1.00 0.00 C ATOM 177 O PHE A 45 -119.461-110.986 3.302 1.00 0.00 O ATOM 178 CB PHE A 45 -116.730-111.501 1.809 1.00 0.00 C ATOM 179 CG PHE A 45 -115.269-111.806 1.620 1.00 0.00 C ATOM 180 CD1 PHE A 45 -114.314-110.881 1.989 1.00 0.00 C ATOM 181 CD2 PHE A 45 -114.816-112.968 1.042 1.00 0.00 C ATOM 182 CE1 PHE A 45 -112.970-111.086 1.732 1.00 0.00 C ATOM 183 CE2 PHE A 45 -113.493-113.173 0.806 1.00 0.00 C ATOM 184 CZ PHE A 45 -112.545-112.243 1.122 1.00 0.00 C ATOM 0 H PHE A 45 -117.793-113.610 2.572 1.00 0.00 H new ATOM 0 HA PHE A 45 -116.321-111.529 3.970 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -117.328-112.134 1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -116.932-110.468 1.526 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -114.623-109.976 2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -115.526-113.735 0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -112.249-110.332 2.012 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -113.182-114.103 0.353 1.00 0.00 H new ATOM 0 HZ PHE A 45 -111.501-112.409 0.901 1.00 0.00 H new ATOM 194 N GLN A 46 -117.954-109.601 4.348 1.00 0.00 N ATOM 195 CA GLN A 46 -118.858-108.549 4.829 1.00 0.00 C ATOM 196 C GLN A 46 -118.289-107.160 4.436 1.00 0.00 C ATOM 197 O GLN A 46 -117.069-106.990 4.355 1.00 0.00 O ATOM 198 CB GLN A 46 -119.059-108.638 6.386 1.00 0.00 C ATOM 199 CG GLN A 46 -119.651-109.986 6.907 1.00 0.00 C ATOM 200 CD GLN A 46 -119.981-109.934 8.411 1.00 0.00 C ATOM 201 OE1 GLN A 46 -119.842-108.882 9.030 1.00 0.00 O ATOM 202 NE2 GLN A 46 -120.418-111.075 9.015 1.00 0.00 N ATOM 0 H GLN A 46 -116.984-109.404 4.594 1.00 0.00 H new ATOM 0 HA GLN A 46 -119.833-108.688 4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -118.097-108.472 6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -119.717-107.827 6.698 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -120.555-110.225 6.346 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -118.939-110.790 6.721 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -120.522-111.932 8.472 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -120.641-111.072 10.010 1.00 0.00 H new ATOM 211 N SER A 47 -119.136-106.124 4.177 1.00 0.00 N ATOM 212 CA SER A 47 -118.668-104.778 3.786 1.00 0.00 C ATOM 213 C SER A 47 -119.176-103.731 4.773 1.00 0.00 C ATOM 214 O SER A 47 -120.051-103.996 5.598 1.00 0.00 O ATOM 215 CB SER A 47 -119.088-104.433 2.319 1.00 0.00 C ATOM 216 OG SER A 47 -118.338-103.349 1.758 1.00 0.00 O ATOM 0 H SER A 47 -120.151-106.205 4.235 1.00 0.00 H new ATOM 0 HA SER A 47 -117.578-104.773 3.817 1.00 0.00 H new ATOM 0 HB2 SER A 47 -118.960-105.317 1.694 1.00 0.00 H new ATOM 0 HB3 SER A 47 -120.148-104.181 2.301 1.00 0.00 H new ATOM 0 HG SER A 47 -118.744-103.075 0.909 1.00 0.00 H new ATOM 222 N TYR A 48 -118.600-102.502 4.718 1.00 0.00 N ATOM 223 CA TYR A 48 -118.867-101.377 5.605 1.00 0.00 C ATOM 224 C TYR A 48 -119.770-100.368 4.882 1.00 0.00 C ATOM 225 O TYR A 48 -119.385 -99.841 3.836 1.00 0.00 O ATOM 226 CB TYR A 48 -117.464-100.775 5.910 1.00 0.00 C ATOM 227 CG TYR A 48 -117.362 -99.834 7.077 1.00 0.00 C ATOM 228 CD1 TYR A 48 -117.775-100.201 8.346 1.00 0.00 C ATOM 229 CD2 TYR A 48 -116.710 -98.626 6.905 1.00 0.00 C ATOM 230 CE1 TYR A 48 -117.516 -99.382 9.429 1.00 0.00 C ATOM 231 CE2 TYR A 48 -116.445 -97.812 7.985 1.00 0.00 C ATOM 232 CZ TYR A 48 -116.843 -98.195 9.247 1.00 0.00 C ATOM 233 OH TYR A 48 -116.563 -97.352 10.337 1.00 0.00 O ATOM 0 H TYR A 48 -117.902-102.274 4.010 1.00 0.00 H new ATOM 0 HA TYR A 48 -119.382-101.660 6.523 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -116.772-101.600 6.079 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -117.121-100.248 5.020 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -118.302-101.132 8.491 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -116.406 -98.318 5.915 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -117.841 -99.673 10.417 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -115.926 -96.876 7.842 1.00 0.00 H new ATOM 0 HH TYR A 48 -116.081 -96.559 10.022 1.00 0.00 H new ATOM 431 N TRP A 62 -121.008-103.246 9.540 1.00 0.00 N ATOM 432 CA TRP A 62 -120.529-104.428 8.860 1.00 0.00 C ATOM 433 C TRP A 62 -121.719-105.361 8.560 1.00 0.00 C ATOM 434 O TRP A 62 -122.375-105.902 9.452 1.00 0.00 O ATOM 435 CB TRP A 62 -119.448-105.088 9.762 1.00 0.00 C ATOM 436 CG TRP A 62 -118.209-104.208 9.910 1.00 0.00 C ATOM 437 CD1 TRP A 62 -117.753-103.417 10.934 1.00 0.00 C ATOM 438 CD2 TRP A 62 -117.270-104.037 8.841 1.00 0.00 C ATOM 439 NE1 TRP A 62 -116.605-102.764 10.552 1.00 0.00 N ATOM 440 CE2 TRP A 62 -116.294-103.158 9.288 1.00 0.00 C ATOM 441 CE3 TRP A 62 -117.225-104.565 7.589 1.00 0.00 C ATOM 442 CZ2 TRP A 62 -115.248-102.818 8.512 1.00 0.00 C ATOM 443 CZ3 TRP A 62 -116.161-104.214 6.790 1.00 0.00 C ATOM 444 CH2 TRP A 62 -115.172-103.361 7.252 1.00 0.00 C ATOM 0 HA TRP A 62 -120.071-104.190 7.900 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -119.870-105.287 10.747 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -119.160-106.050 9.338 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -118.227-103.321 11.900 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -116.078-102.099 11.118 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -117.995-105.234 7.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -114.490-102.137 8.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -116.096-104.610 5.787 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -114.333-103.120 6.616 1.00 0.00 H new ATOM 455 N VAL A 63 -122.044-105.516 7.255 1.00 0.00 N ATOM 456 CA VAL A 63 -123.196-106.235 6.729 1.00 0.00 C ATOM 457 C VAL A 63 -122.678-107.287 5.768 1.00 0.00 C ATOM 458 O VAL A 63 -121.681-107.049 5.091 1.00 0.00 O ATOM 459 CB VAL A 63 -124.137-105.249 6.006 1.00 0.00 C ATOM 460 CG1 VAL A 63 -125.385-105.938 5.412 1.00 0.00 C ATOM 461 CG2 VAL A 63 -124.605-104.157 6.996 1.00 0.00 C ATOM 0 H VAL A 63 -121.470-105.116 6.513 1.00 0.00 H new ATOM 0 HA VAL A 63 -123.762-106.710 7.531 1.00 0.00 H new ATOM 0 HB VAL A 63 -123.568-104.818 5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -126.009-105.195 4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -125.075-106.692 4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -125.953-106.414 6.211 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -125.270-103.462 6.483 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -125.137-104.622 7.826 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -123.739-103.616 7.378 1.00 0.00 H new ATOM 471 N ASP A 64 -123.368-108.465 5.659 1.00 0.00 N ATOM 472 CA ASP A 64 -123.094-109.606 4.774 1.00 0.00 C ATOM 473 C ASP A 64 -123.072-109.223 3.293 1.00 0.00 C ATOM 474 O ASP A 64 -123.995-108.584 2.801 1.00 0.00 O ATOM 475 CB ASP A 64 -124.143-110.739 5.035 1.00 0.00 C ATOM 476 CG ASP A 64 -123.838-112.067 4.321 1.00 0.00 C ATOM 477 OD1 ASP A 64 -122.728-112.615 4.544 1.00 0.00 O ATOM 478 OD2 ASP A 64 -124.710-112.535 3.542 1.00 0.00 O ATOM 0 H ASP A 64 -124.189-108.638 6.239 1.00 0.00 H new ATOM 0 HA ASP A 64 -122.093-109.966 5.011 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -124.201-110.923 6.108 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -125.125-110.388 4.718 1.00 0.00 H new ATOM 483 N GLU A 65 -121.978-109.585 2.573 1.00 0.00 N ATOM 484 CA GLU A 65 -121.778-109.282 1.166 1.00 0.00 C ATOM 485 C GLU A 65 -122.150-110.524 0.395 1.00 0.00 C ATOM 486 O GLU A 65 -123.061-110.523 -0.427 1.00 0.00 O ATOM 487 CB GLU A 65 -120.299-108.860 0.902 1.00 0.00 C ATOM 488 CG GLU A 65 -120.007-108.209 -0.468 1.00 0.00 C ATOM 489 CD GLU A 65 -120.556-106.784 -0.589 1.00 0.00 C ATOM 490 OE1 GLU A 65 -121.175-106.271 0.381 1.00 0.00 O ATOM 491 OE2 GLU A 65 -120.349-106.182 -1.678 1.00 0.00 O ATOM 0 H GLU A 65 -121.203-110.107 2.982 1.00 0.00 H new ATOM 0 HA GLU A 65 -122.398-108.444 0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -119.998-108.162 1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -119.668-109.743 1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -118.930-108.191 -0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -120.439-108.826 -1.256 1.00 0.00 H new ATOM 498 N PHE A 66 -121.436-111.632 0.702 1.00 0.00 N ATOM 499 CA PHE A 66 -121.670-112.920 0.084 1.00 0.00 C ATOM 500 C PHE A 66 -120.994-113.994 0.946 1.00 0.00 C ATOM 501 O PHE A 66 -120.083-113.726 1.744 1.00 0.00 O ATOM 502 CB PHE A 66 -121.203-112.951 -1.434 1.00 0.00 C ATOM 503 CG PHE A 66 -119.705-112.828 -1.598 1.00 0.00 C ATOM 504 CD1 PHE A 66 -118.962-113.982 -1.498 1.00 0.00 C ATOM 505 CD2 PHE A 66 -119.042-111.615 -1.686 1.00 0.00 C ATOM 506 CE1 PHE A 66 -117.621-113.910 -1.259 1.00 0.00 C ATOM 507 CE2 PHE A 66 -117.666-111.554 -1.551 1.00 0.00 C ATOM 508 CZ PHE A 66 -116.961-112.707 -1.290 1.00 0.00 C ATOM 0 H PHE A 66 -120.683-111.638 1.390 1.00 0.00 H new ATOM 0 HA PHE A 66 -122.740-113.123 0.044 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -121.537-113.882 -1.891 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -121.689-112.138 -1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -119.440-114.944 -1.609 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -119.604-110.709 -1.861 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -117.070-114.813 -1.042 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -117.150-110.610 -1.650 1.00 0.00 H new ATOM 0 HZ PHE A 66 -115.897-112.665 -1.111 1.00 0.00 H new ATOM 518 N THR A 67 -121.358-115.279 0.717 1.00 0.00 N ATOM 519 CA THR A 67 -120.658-116.423 1.300 1.00 0.00 C ATOM 520 C THR A 67 -120.298-117.337 0.136 1.00 0.00 C ATOM 521 O THR A 67 -121.106-117.633 -0.748 1.00 0.00 O ATOM 522 CB THR A 67 -121.399-117.133 2.450 1.00 0.00 C ATOM 523 OG1 THR A 67 -120.693-118.268 2.953 1.00 0.00 O ATOM 524 CG2 THR A 67 -122.821-117.563 2.061 1.00 0.00 C ATOM 0 H THR A 67 -122.145-115.539 0.123 1.00 0.00 H new ATOM 0 HA THR A 67 -119.762-116.078 1.816 1.00 0.00 H new ATOM 0 HB THR A 67 -121.459-116.384 3.240 1.00 0.00 H new ATOM 0 HG1 THR A 67 -119.731-118.082 2.951 1.00 0.00 H new ATOM 0 HG21 THR A 67 -123.296-118.058 2.908 1.00 0.00 H new ATOM 0 HG22 THR A 67 -123.403-116.685 1.781 1.00 0.00 H new ATOM 0 HG23 THR A 67 -122.775-118.252 1.218 1.00 0.00 H new ATOM 532 N ALA A 68 -119.031-117.787 0.122 1.00 0.00 N ATOM 533 CA ALA A 68 -118.482-118.608 -0.952 1.00 0.00 C ATOM 534 C ALA A 68 -117.295-119.411 -0.458 1.00 0.00 C ATOM 535 O ALA A 68 -116.784-119.169 0.634 1.00 0.00 O ATOM 536 CB ALA A 68 -118.144-117.791 -2.223 1.00 0.00 C ATOM 0 H ALA A 68 -118.361-117.585 0.864 1.00 0.00 H new ATOM 0 HA ALA A 68 -119.262-119.308 -1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -117.740-118.456 -2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -119.049-117.314 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -117.405-117.027 -1.979 1.00 0.00 H new ATOM 542 N ALA A 69 -116.849-120.439 -1.222 1.00 0.00 N ATOM 543 CA ALA A 69 -115.691-121.273 -0.907 1.00 0.00 C ATOM 544 C ALA A 69 -114.391-120.687 -1.475 1.00 0.00 C ATOM 545 O ALA A 69 -114.368-120.141 -2.575 1.00 0.00 O ATOM 546 CB ALA A 69 -115.907-122.710 -1.415 1.00 0.00 C ATOM 0 H ALA A 69 -117.305-120.707 -2.094 1.00 0.00 H new ATOM 0 HA ALA A 69 -115.589-121.295 0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -115.035-123.317 -1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -116.790-123.136 -0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -116.050-122.696 -2.496 1.00 0.00 H new ATOM 552 N ALA A 70 -113.288-120.754 -0.694 1.00 0.00 N ATOM 553 CA ALA A 70 -112.035-120.099 -1.062 1.00 0.00 C ATOM 554 C ALA A 70 -110.978-120.512 -0.079 1.00 0.00 C ATOM 555 O ALA A 70 -111.245-121.074 0.980 1.00 0.00 O ATOM 556 CB ALA A 70 -112.151-118.579 -0.871 1.00 0.00 C ATOM 0 H ALA A 70 -113.252-121.258 0.192 1.00 0.00 H new ATOM 0 HA ALA A 70 -111.806-120.365 -2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -111.210-118.104 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -112.952-118.193 -1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -112.373-118.359 0.173 1.00 0.00 H new ATOM 562 N HIS A 71 -109.734-120.131 -0.425 1.00 0.00 N ATOM 563 CA HIS A 71 -108.581-120.137 0.430 1.00 0.00 C ATOM 564 C HIS A 71 -108.397-118.656 0.813 1.00 0.00 C ATOM 565 O HIS A 71 -107.936-117.846 0.011 1.00 0.00 O ATOM 566 CB HIS A 71 -107.438-120.677 -0.475 1.00 0.00 C ATOM 567 CG HIS A 71 -106.000-120.598 -0.034 1.00 0.00 C ATOM 568 ND1 HIS A 71 -105.292-119.423 0.109 1.00 0.00 N ATOM 569 CD2 HIS A 71 -105.070-121.590 -0.018 1.00 0.00 C ATOM 570 CE1 HIS A 71 -103.983-119.753 0.195 1.00 0.00 C ATOM 571 NE2 HIS A 71 -103.808-121.053 0.114 1.00 0.00 N ATOM 0 H HIS A 71 -109.518-119.796 -1.364 1.00 0.00 H new ATOM 0 HA HIS A 71 -108.631-120.740 1.337 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -107.655-121.727 -0.672 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -107.510-120.153 -1.428 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -105.682-118.481 0.143 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -105.289-122.645 -0.097 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -103.182-119.038 0.315 1.00 0.00 H new ATOM 579 N VAL A 72 -108.718-118.282 2.086 1.00 0.00 N ATOM 580 CA VAL A 72 -108.530-116.950 2.689 1.00 0.00 C ATOM 581 C VAL A 72 -107.511-117.383 3.773 1.00 0.00 C ATOM 582 O VAL A 72 -107.862-118.087 4.713 1.00 0.00 O ATOM 583 CB VAL A 72 -109.855-116.269 3.238 1.00 0.00 C ATOM 584 CG1 VAL A 72 -109.551-115.236 4.337 1.00 0.00 C ATOM 585 CG2 VAL A 72 -110.827-115.439 2.314 1.00 0.00 C ATOM 0 H VAL A 72 -109.135-118.942 2.743 1.00 0.00 H new ATOM 0 HA VAL A 72 -108.209-116.154 2.017 1.00 0.00 H new ATOM 0 HB VAL A 72 -110.358-117.199 3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -110.483-114.792 4.687 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -109.048-115.728 5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -108.906-114.455 3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -111.664-115.070 2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -110.287-114.596 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -111.202-116.077 1.514 1.00 0.00 H new ATOM 595 N GLN A 73 -106.196-117.055 3.644 1.00 0.00 N ATOM 596 CA GLN A 73 -105.103-117.537 4.501 1.00 0.00 C ATOM 597 C GLN A 73 -104.229-116.378 4.983 1.00 0.00 C ATOM 598 O GLN A 73 -104.316-115.299 4.407 1.00 0.00 O ATOM 599 CB GLN A 73 -104.220-118.524 3.671 1.00 0.00 C ATOM 600 CG GLN A 73 -104.749-119.980 3.645 1.00 0.00 C ATOM 601 CD GLN A 73 -104.333-120.731 4.911 1.00 0.00 C ATOM 602 OE1 GLN A 73 -103.201-121.207 5.033 1.00 0.00 O ATOM 603 NE2 GLN A 73 -105.256-120.854 5.895 1.00 0.00 N ATOM 0 H GLN A 73 -105.868-116.425 2.912 1.00 0.00 H new ATOM 0 HA GLN A 73 -105.532-118.032 5.372 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -104.148-118.157 2.647 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -103.210-118.523 4.081 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -105.836-119.976 3.560 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -104.362-120.497 2.767 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -106.186-120.453 5.775 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -105.021-121.347 6.756 1.00 0.00 H new ATOM 612 N PRO A 74 -103.372-116.463 6.033 1.00 0.00 N ATOM 613 CA PRO A 74 -102.468-115.385 6.455 1.00 0.00 C ATOM 614 C PRO A 74 -101.310-115.179 5.455 1.00 0.00 C ATOM 615 O PRO A 74 -100.822-116.155 4.889 1.00 0.00 O ATOM 616 CB PRO A 74 -101.971-115.839 7.855 1.00 0.00 C ATOM 617 CG PRO A 74 -102.877-117.011 8.256 1.00 0.00 C ATOM 618 CD PRO A 74 -103.259-117.624 6.911 1.00 0.00 C ATOM 0 HA PRO A 74 -102.962-114.414 6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -100.926-116.146 7.819 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -102.039-115.026 8.578 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -102.355-117.726 8.892 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -103.753-116.673 8.809 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -102.501-118.323 6.558 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -104.197-118.175 6.972 1.00 0.00 H new ATOM 626 N ILE A 75 -100.858-113.916 5.235 1.00 0.00 N ATOM 627 CA ILE A 75 -99.778-113.495 4.329 1.00 0.00 C ATOM 628 C ILE A 75 -98.355-113.915 4.757 1.00 0.00 C ATOM 629 O ILE A 75 -97.991-113.842 5.929 1.00 0.00 O ATOM 630 CB ILE A 75 -99.890-111.977 4.091 1.00 0.00 C ATOM 631 CG1 ILE A 75 -99.182-111.496 2.796 1.00 0.00 C ATOM 632 CG2 ILE A 75 -99.477-111.165 5.346 1.00 0.00 C ATOM 633 CD1 ILE A 75 -99.758-110.178 2.252 1.00 0.00 C ATOM 0 H ILE A 75 -101.271-113.120 5.721 1.00 0.00 H new ATOM 0 HA ILE A 75 -99.923-114.036 3.394 1.00 0.00 H new ATOM 0 HB ILE A 75 -100.947-111.775 3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -98.118-111.366 2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -99.270-112.268 2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -99.570-110.099 5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -100.127-111.429 6.180 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -98.443-111.395 5.604 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -99.222-109.893 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -100.815-110.310 2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -99.645-109.395 3.002 1.00 0.00 H new ATOM 894 N GLY A 91 -101.538-109.307 7.733 1.00 0.00 N ATOM 895 CA GLY A 91 -102.595-109.218 6.744 1.00 0.00 C ATOM 896 C GLY A 91 -103.017-110.589 6.338 1.00 0.00 C ATOM 897 O GLY A 91 -102.524-111.600 6.845 1.00 0.00 O ATOM 0 HA2 GLY A 91 -103.445-108.671 7.153 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -102.247-108.661 5.874 1.00 0.00 H new ATOM 901 N TYR A 92 -103.942-110.645 5.350 1.00 0.00 N ATOM 902 CA TYR A 92 -104.401-111.879 4.737 1.00 0.00 C ATOM 903 C TYR A 92 -104.035-111.823 3.260 1.00 0.00 C ATOM 904 O TYR A 92 -103.838-110.791 2.621 1.00 0.00 O ATOM 905 CB TYR A 92 -105.907-112.316 4.961 1.00 0.00 C ATOM 906 CG TYR A 92 -106.084-113.204 6.192 1.00 0.00 C ATOM 907 CD1 TYR A 92 -105.616-112.946 7.477 1.00 0.00 C ATOM 908 CD2 TYR A 92 -106.725-114.409 6.000 1.00 0.00 C ATOM 909 CE1 TYR A 92 -105.750-113.887 8.491 1.00 0.00 C ATOM 910 CE2 TYR A 92 -106.866-115.347 6.996 1.00 0.00 C ATOM 911 CZ TYR A 92 -106.369-115.098 8.251 1.00 0.00 C ATOM 912 OH TYR A 92 -106.482-116.101 9.243 1.00 0.00 O ATOM 0 H TYR A 92 -104.386-109.813 4.963 1.00 0.00 H new ATOM 0 HA TYR A 92 -103.885-112.678 5.269 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -106.528-111.426 5.067 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -106.262-112.849 4.079 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -105.141-112.000 7.690 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -107.135-114.626 5.025 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -105.366-113.669 9.477 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -107.368-116.281 6.790 1.00 0.00 H new ATOM 0 HH TYR A 92 -106.967-116.870 8.877 1.00 0.00 H new ATOM 922 N ASN A 93 -103.955-113.039 2.732 1.00 0.00 N ATOM 923 CA ASN A 93 -103.666-113.458 1.398 1.00 0.00 C ATOM 924 C ASN A 93 -104.856-114.347 1.026 1.00 0.00 C ATOM 925 O ASN A 93 -105.151-115.353 1.666 1.00 0.00 O ATOM 926 CB ASN A 93 -102.310-114.229 1.469 1.00 0.00 C ATOM 927 CG ASN A 93 -101.917-114.924 0.172 1.00 0.00 C ATOM 928 OD1 ASN A 93 -101.976-116.153 0.084 1.00 0.00 O ATOM 929 ND2 ASN A 93 -101.601-114.119 -0.876 1.00 0.00 N ATOM 0 H ASN A 93 -104.117-113.852 3.327 1.00 0.00 H new ATOM 0 HA ASN A 93 -103.554-112.669 0.654 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -101.521-113.529 1.746 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -102.370-114.973 2.263 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -101.399-114.526 -1.789 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -101.566-113.107 -0.750 1.00 0.00 H new ATOM 936 N ILE A 94 -105.599-113.998 -0.042 1.00 0.00 N ATOM 937 CA ILE A 94 -106.702-114.827 -0.518 1.00 0.00 C ATOM 938 C ILE A 94 -106.500-115.137 -1.986 1.00 0.00 C ATOM 939 O ILE A 94 -106.173-114.268 -2.805 1.00 0.00 O ATOM 940 CB ILE A 94 -108.146-114.313 -0.202 1.00 0.00 C ATOM 941 CG1 ILE A 94 -109.184-114.444 -1.370 1.00 0.00 C ATOM 942 CG2 ILE A 94 -108.140-112.940 0.525 1.00 0.00 C ATOM 943 CD1 ILE A 94 -110.581-113.917 -1.083 1.00 0.00 C ATOM 0 H ILE A 94 -105.449-113.147 -0.585 1.00 0.00 H new ATOM 0 HA ILE A 94 -106.657-115.745 0.068 1.00 0.00 H new ATOM 0 HB ILE A 94 -108.545-115.025 0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -108.790-113.918 -2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -109.263-115.496 -1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -109.166-112.628 0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -107.601-113.030 1.468 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -107.649-112.197 -0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -111.211-114.060 -1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -111.007-114.458 -0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -110.527-112.855 -0.844 1.00 0.00 H new ATOM 955 N TYR A 95 -106.838-116.403 -2.362 1.00 0.00 N ATOM 956 CA TYR A 95 -107.016-116.804 -3.739 1.00 0.00 C ATOM 957 C TYR A 95 -108.382-117.503 -3.759 1.00 0.00 C ATOM 958 O TYR A 95 -108.759-118.266 -2.861 1.00 0.00 O ATOM 959 CB TYR A 95 -105.798-117.572 -4.387 1.00 0.00 C ATOM 960 CG TYR A 95 -105.873-119.083 -4.393 1.00 0.00 C ATOM 961 CD1 TYR A 95 -106.622-119.730 -5.361 1.00 0.00 C ATOM 962 CD2 TYR A 95 -105.288-119.833 -3.398 1.00 0.00 C ATOM 963 CE1 TYR A 95 -106.843-121.088 -5.299 1.00 0.00 C ATOM 964 CE2 TYR A 95 -105.501-121.196 -3.339 1.00 0.00 C ATOM 965 CZ TYR A 95 -106.287-121.832 -4.279 1.00 0.00 C ATOM 966 OH TYR A 95 -106.525-123.223 -4.204 1.00 0.00 O ATOM 0 H TYR A 95 -106.990-117.159 -1.694 1.00 0.00 H new ATOM 0 HA TYR A 95 -107.022-115.952 -4.418 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -105.691-117.233 -5.417 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -104.891-117.278 -3.859 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -107.040-119.161 -6.178 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -104.660-119.354 -2.661 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -107.452-121.571 -6.049 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -105.047-121.772 -2.547 1.00 0.00 H new ATOM 0 HH TYR A 95 -106.058-123.593 -3.426 1.00 0.00 H new ATOM 976 N THR A 96 -109.155-117.240 -4.829 1.00 0.00 N ATOM 977 CA THR A 96 -110.403-117.974 -5.066 1.00 0.00 C ATOM 978 C THR A 96 -110.258-118.150 -6.581 1.00 0.00 C ATOM 979 O THR A 96 -109.486-117.392 -7.191 1.00 0.00 O ATOM 980 CB THR A 96 -111.708-117.286 -4.576 1.00 0.00 C ATOM 981 OG1 THR A 96 -112.910-117.740 -5.205 1.00 0.00 O ATOM 982 CG2 THR A 96 -111.680-115.760 -4.652 1.00 0.00 C ATOM 0 H THR A 96 -108.938-116.534 -5.532 1.00 0.00 H new ATOM 0 HA THR A 96 -110.521-118.896 -4.496 1.00 0.00 H new ATOM 0 HB THR A 96 -111.731-117.596 -3.531 1.00 0.00 H new ATOM 0 HG1 THR A 96 -113.677-117.255 -4.834 1.00 0.00 H new ATOM 0 HG21 THR A 96 -112.628-115.360 -4.292 1.00 0.00 H new ATOM 0 HG22 THR A 96 -110.867-115.380 -4.033 1.00 0.00 H new ATOM 0 HG23 THR A 96 -111.525-115.450 -5.685 1.00 0.00 H new ATOM 990 N PRO A 97 -110.909-119.101 -7.307 1.00 0.00 N ATOM 991 CA PRO A 97 -110.893-119.160 -8.782 1.00 0.00 C ATOM 992 C PRO A 97 -111.649-117.946 -9.344 1.00 0.00 C ATOM 993 O PRO A 97 -112.781-117.676 -8.950 1.00 0.00 O ATOM 994 CB PRO A 97 -111.602-120.499 -9.103 1.00 0.00 C ATOM 995 CG PRO A 97 -111.581-121.291 -7.790 1.00 0.00 C ATOM 996 CD PRO A 97 -111.654-120.205 -6.721 1.00 0.00 C ATOM 0 HA PRO A 97 -109.897-119.124 -9.224 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -112.623-120.331 -9.445 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -111.084-121.038 -9.896 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -112.424-121.979 -7.722 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -110.674-121.888 -7.695 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -112.685-119.924 -6.504 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -111.210-120.535 -5.782 1.00 0.00 H new ATOM 1004 N TYR A 98 -110.935-117.207 -10.208 1.00 0.00 N ATOM 1005 CA TYR A 98 -111.161-115.924 -10.842 1.00 0.00 C ATOM 1006 C TYR A 98 -111.537-114.759 -9.926 1.00 0.00 C ATOM 1007 O TYR A 98 -111.413-114.786 -8.700 1.00 0.00 O ATOM 1008 CB TYR A 98 -112.028-116.042 -12.143 1.00 0.00 C ATOM 1009 CG TYR A 98 -111.648-115.092 -13.277 1.00 0.00 C ATOM 1010 CD1 TYR A 98 -110.346-114.657 -13.498 1.00 0.00 C ATOM 1011 CD2 TYR A 98 -112.626-114.649 -14.153 1.00 0.00 C ATOM 1012 CE1 TYR A 98 -110.044-113.794 -14.527 1.00 0.00 C ATOM 1013 CE2 TYR A 98 -112.321-113.788 -15.193 1.00 0.00 C ATOM 1014 CZ TYR A 98 -111.027-113.356 -15.379 1.00 0.00 C ATOM 1015 OH TYR A 98 -110.690-112.486 -16.438 1.00 0.00 O ATOM 0 H TYR A 98 -110.036-117.574 -10.520 1.00 0.00 H new ATOM 0 HA TYR A 98 -110.166-115.616 -11.162 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -111.960-117.065 -12.512 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -113.071-115.867 -11.880 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -109.555-115.003 -12.849 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -113.645-114.982 -14.022 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -109.027-113.459 -14.665 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -113.101-113.454 -15.861 1.00 0.00 H new ATOM 0 HH TYR A 98 -111.496-112.268 -16.951 1.00 0.00 H new ATOM 1025 N ASP A 99 -112.001-113.671 -10.560 1.00 0.00 N ATOM 1026 CA ASP A 99 -112.548-112.435 -10.002 1.00 0.00 C ATOM 1027 C ASP A 99 -114.009-112.703 -9.635 1.00 0.00 C ATOM 1028 O ASP A 99 -114.908-112.589 -10.460 1.00 0.00 O ATOM 1029 CB ASP A 99 -112.430-111.280 -11.052 1.00 0.00 C ATOM 1030 CG ASP A 99 -112.631-109.887 -10.444 1.00 0.00 C ATOM 1031 OD1 ASP A 99 -111.737-109.443 -9.674 1.00 0.00 O ATOM 1032 OD2 ASP A 99 -113.672-109.249 -10.752 1.00 0.00 O ATOM 0 H ASP A 99 -112.000-113.637 -11.579 1.00 0.00 H new ATOM 0 HA ASP A 99 -111.996-112.126 -9.114 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -111.448-111.325 -11.523 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -113.168-111.436 -11.838 1.00 0.00 H new ATOM 1037 N ASP A 100 -114.263-113.143 -8.388 1.00 0.00 N ATOM 1038 CA ASP A 100 -115.585-113.579 -7.982 1.00 0.00 C ATOM 1039 C ASP A 100 -115.863-113.041 -6.610 1.00 0.00 C ATOM 1040 O ASP A 100 -116.757-112.217 -6.436 1.00 0.00 O ATOM 1041 CB ASP A 100 -115.692-115.143 -8.033 1.00 0.00 C ATOM 1042 CG ASP A 100 -117.110-115.681 -7.784 1.00 0.00 C ATOM 1043 OD1 ASP A 100 -118.008-115.394 -8.620 1.00 0.00 O ATOM 1044 OD2 ASP A 100 -117.305-116.378 -6.754 1.00 0.00 O ATOM 0 H ASP A 100 -113.559-113.201 -7.653 1.00 0.00 H new ATOM 0 HA ASP A 100 -116.337-113.193 -8.670 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -115.349-115.489 -9.008 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -115.018-115.568 -7.289 1.00 0.00 H new ATOM 1049 N ARG A 101 -115.119-113.545 -5.592 1.00 0.00 N ATOM 1050 CA ARG A 101 -115.423-113.230 -4.214 1.00 0.00 C ATOM 1051 C ARG A 101 -114.583-112.102 -3.608 1.00 0.00 C ATOM 1052 O ARG A 101 -115.172-111.111 -3.199 1.00 0.00 O ATOM 1053 CB ARG A 101 -115.290-114.609 -3.492 1.00 0.00 C ATOM 1054 CG ARG A 101 -114.275-114.767 -2.352 1.00 0.00 C ATOM 1055 CD ARG A 101 -114.133-116.191 -1.858 1.00 0.00 C ATOM 1056 NE ARG A 101 -115.247-116.521 -0.930 1.00 0.00 N ATOM 1057 CZ ARG A 101 -115.144-116.417 0.428 1.00 0.00 C ATOM 1058 NH1 ARG A 101 -113.936-116.436 1.053 1.00 0.00 N ATOM 1059 NH2 ARG A 101 -116.278-116.222 1.155 1.00 0.00 N ATOM 0 H ARG A 101 -114.317-114.163 -5.720 1.00 0.00 H new ATOM 0 HA ARG A 101 -116.419-112.801 -4.102 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -116.272-114.866 -3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -115.049-115.354 -4.251 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -113.302-114.411 -2.691 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -114.575-114.131 -1.519 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -114.136-116.880 -2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -113.177-116.315 -1.350 1.00 0.00 H new ATOM 0 HE ARG A 101 -116.131-116.840 -1.327 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -113.080-116.530 0.506 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -113.886-116.357 2.069 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -117.181-116.157 0.684 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -116.225-116.141 2.170 1.00 0.00 H new ATOM 1073 N ILE A 102 -113.219-112.132 -3.638 1.00 0.00 N ATOM 1074 CA ILE A 102 -112.226-111.101 -3.292 1.00 0.00 C ATOM 1075 C ILE A 102 -112.579-109.645 -2.940 1.00 0.00 C ATOM 1076 O ILE A 102 -112.982-108.836 -3.773 1.00 0.00 O ATOM 1077 CB ILE A 102 -111.069-111.097 -4.314 1.00 0.00 C ATOM 1078 CG1 ILE A 102 -111.297-110.368 -5.676 1.00 0.00 C ATOM 1079 CG2 ILE A 102 -110.672-112.555 -4.584 1.00 0.00 C ATOM 1080 CD1 ILE A 102 -112.569-110.717 -6.453 1.00 0.00 C ATOM 0 H ILE A 102 -112.747-112.983 -3.942 1.00 0.00 H new ATOM 0 HA ILE A 102 -111.996-111.472 -2.293 1.00 0.00 H new ATOM 0 HB ILE A 102 -110.288-110.502 -3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -111.300-109.294 -5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -110.441-110.577 -6.318 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -109.855-112.582 -5.304 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -110.351-113.023 -3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -111.528-113.097 -4.986 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -112.601-110.140 -7.377 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -112.571-111.781 -6.689 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -113.443-110.479 -5.846 1.00 0.00 H new ATOM 1092 N ASP A 103 -112.409-109.263 -1.653 1.00 0.00 N ATOM 1093 CA ASP A 103 -112.735-107.908 -1.185 1.00 0.00 C ATOM 1094 C ASP A 103 -111.505-107.037 -0.927 1.00 0.00 C ATOM 1095 O ASP A 103 -110.381-107.516 -0.832 1.00 0.00 O ATOM 1096 CB ASP A 103 -113.640-107.945 0.075 1.00 0.00 C ATOM 1097 CG ASP A 103 -115.097-108.325 -0.236 1.00 0.00 C ATOM 1098 OD1 ASP A 103 -115.428-108.608 -1.418 1.00 0.00 O ATOM 1099 OD2 ASP A 103 -115.912-108.301 0.725 1.00 0.00 O ATOM 0 H ASP A 103 -112.047-109.879 -0.925 1.00 0.00 H new ATOM 0 HA ASP A 103 -113.283-107.443 -2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -113.229-108.660 0.788 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -113.621-106.967 0.557 1.00 0.00 H new ATOM 1104 N LYS A 104 -111.734-105.696 -0.825 1.00 0.00 N ATOM 1105 CA LYS A 104 -110.740-104.641 -0.642 1.00 0.00 C ATOM 1106 C LYS A 104 -110.880-103.995 0.736 1.00 0.00 C ATOM 1107 O LYS A 104 -110.547-104.626 1.734 1.00 0.00 O ATOM 1108 CB LYS A 104 -110.761-103.641 -1.834 1.00 0.00 C ATOM 1109 CG LYS A 104 -112.135-103.156 -2.322 1.00 0.00 C ATOM 1110 CD LYS A 104 -112.007-102.154 -3.484 1.00 0.00 C ATOM 1111 CE LYS A 104 -113.357-101.731 -4.080 1.00 0.00 C ATOM 1112 NZ LYS A 104 -114.203-101.045 -3.075 1.00 0.00 N ATOM 0 H LYS A 104 -112.680-105.319 -0.874 1.00 0.00 H new ATOM 0 HA LYS A 104 -109.741-105.077 -0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -110.175-102.766 -1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -110.250-104.108 -2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -112.730-104.011 -2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -112.670-102.688 -1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -111.480-101.267 -3.132 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -111.395-102.597 -4.270 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -113.189-101.069 -4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -113.880-102.609 -4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -115.093-100.743 -3.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -114.411-101.698 -2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -113.699-100.213 -2.707 1.00 0.00 H new ATOM 1126 N LYS A 105 -111.406-102.740 0.882 1.00 0.00 N ATOM 1127 CA LYS A 105 -111.658-102.065 2.174 1.00 0.00 C ATOM 1128 C LYS A 105 -112.961-102.598 2.780 1.00 0.00 C ATOM 1129 O LYS A 105 -114.059-102.113 2.512 1.00 0.00 O ATOM 1130 CB LYS A 105 -111.688-100.522 2.020 1.00 0.00 C ATOM 1131 CG LYS A 105 -111.781 -99.749 3.353 1.00 0.00 C ATOM 1132 CD LYS A 105 -111.604 -98.229 3.193 1.00 0.00 C ATOM 1133 CE LYS A 105 -110.186 -97.800 2.783 1.00 0.00 C ATOM 1134 NZ LYS A 105 -110.082 -96.325 2.698 1.00 0.00 N ATOM 0 H LYS A 105 -111.669-102.166 0.081 1.00 0.00 H new ATOM 0 HA LYS A 105 -110.836-102.289 2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -110.789-100.204 1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -112.538-100.248 1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -112.749 -99.948 3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -111.020-100.126 4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -112.311 -97.869 2.446 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -111.861 -97.743 4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -109.464 -98.178 3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -109.933 -98.242 1.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -109.115 -96.061 2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -110.756 -95.970 1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -110.302 -95.908 3.625 1.00 0.00 H new ATOM 1148 N MET A 106 -112.800-103.715 3.531 1.00 0.00 N ATOM 1149 CA MET A 106 -113.860-104.624 3.926 1.00 0.00 C ATOM 1150 C MET A 106 -113.301-105.502 5.035 1.00 0.00 C ATOM 1151 O MET A 106 -112.198-105.281 5.541 1.00 0.00 O ATOM 1152 CB MET A 106 -114.194-105.553 2.715 1.00 0.00 C ATOM 1153 CG MET A 106 -115.256-104.990 1.750 1.00 0.00 C ATOM 1154 SD MET A 106 -114.667-104.413 0.126 1.00 0.00 S ATOM 1155 CE MET A 106 -116.236-104.627 -0.751 1.00 0.00 C ATOM 0 H MET A 106 -111.887-104.002 3.882 1.00 0.00 H new ATOM 0 HA MET A 106 -114.747-104.077 4.245 1.00 0.00 H new ATOM 0 HB2 MET A 106 -113.278-105.743 2.156 1.00 0.00 H new ATOM 0 HB3 MET A 106 -114.540-106.514 3.095 1.00 0.00 H new ATOM 0 HG2 MET A 106 -116.007-105.762 1.584 1.00 0.00 H new ATOM 0 HG3 MET A 106 -115.757-104.158 2.245 1.00 0.00 H new ATOM 0 HE1 MET A 106 -116.093-104.414 -1.810 1.00 0.00 H new ATOM 0 HE2 MET A 106 -116.583-105.653 -0.631 1.00 0.00 H new ATOM 0 HE3 MET A 106 -116.979-103.943 -0.340 1.00 0.00 H new ATOM 1165 N ARG A 107 -114.052-106.573 5.392 1.00 0.00 N ATOM 1166 CA ARG A 107 -113.631-107.587 6.329 1.00 0.00 C ATOM 1167 C ARG A 107 -114.069-108.951 5.832 1.00 0.00 C ATOM 1168 O ARG A 107 -114.927-109.107 4.954 1.00 0.00 O ATOM 1169 CB ARG A 107 -114.082-107.309 7.790 1.00 0.00 C ATOM 1170 CG ARG A 107 -115.502-107.708 8.227 1.00 0.00 C ATOM 1171 CD ARG A 107 -115.714-107.338 9.704 1.00 0.00 C ATOM 1172 NE ARG A 107 -117.019-107.904 10.186 1.00 0.00 N ATOM 1173 CZ ARG A 107 -117.415-107.822 11.495 1.00 0.00 C ATOM 1174 NH1 ARG A 107 -116.649-107.172 12.418 1.00 0.00 N ATOM 1175 NH2 ARG A 107 -118.593-108.397 11.880 1.00 0.00 N ATOM 0 H ARG A 107 -114.985-106.739 5.015 1.00 0.00 H new ATOM 0 HA ARG A 107 -112.542-107.564 6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -113.380-107.817 8.452 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -113.972-106.239 7.969 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -116.240-107.201 7.606 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -115.649-108.779 8.086 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -114.893-107.726 10.307 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -115.711-106.254 9.821 1.00 0.00 H new ATOM 0 HE ARG A 107 -117.632-108.366 9.515 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -115.769-106.739 12.137 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -116.956-107.119 13.389 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -119.171-108.883 11.195 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -118.894-108.340 12.853 1.00 0.00 H new ATOM 1189 N VAL A 108 -113.476-110.006 6.419 1.00 0.00 N ATOM 1190 CA VAL A 108 -113.782-111.371 6.101 1.00 0.00 C ATOM 1191 C VAL A 108 -113.840-112.114 7.402 1.00 0.00 C ATOM 1192 O VAL A 108 -113.032-111.913 8.316 1.00 0.00 O ATOM 1193 CB VAL A 108 -112.774-111.957 5.103 1.00 0.00 C ATOM 1194 CG1 VAL A 108 -111.331-112.083 5.642 1.00 0.00 C ATOM 1195 CG2 VAL A 108 -113.294-113.270 4.488 1.00 0.00 C ATOM 0 H VAL A 108 -112.760-109.908 7.139 1.00 0.00 H new ATOM 0 HA VAL A 108 -114.743-111.457 5.594 1.00 0.00 H new ATOM 0 HB VAL A 108 -112.693-111.221 4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -110.689-112.506 4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -110.960-111.097 5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -111.325-112.735 6.516 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -112.557-113.660 3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -113.463-114.001 5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -114.230-113.080 3.963 1.00 0.00 H new ATOM 1205 N ILE A 109 -114.806-113.056 7.504 1.00 0.00 N ATOM 1206 CA ILE A 109 -114.867-113.974 8.604 1.00 0.00 C ATOM 1207 C ILE A 109 -114.479-115.288 7.946 1.00 0.00 C ATOM 1208 O ILE A 109 -115.274-115.935 7.254 1.00 0.00 O ATOM 1209 CB ILE A 109 -116.268-114.035 9.230 1.00 0.00 C ATOM 1210 CG1 ILE A 109 -116.813-112.627 9.616 1.00 0.00 C ATOM 1211 CG2 ILE A 109 -116.261-115.002 10.438 1.00 0.00 C ATOM 1212 CD1 ILE A 109 -116.006-111.877 10.684 1.00 0.00 C ATOM 0 H ILE A 109 -115.549-113.180 6.817 1.00 0.00 H new ATOM 0 HA ILE A 109 -114.221-113.696 9.437 1.00 0.00 H new ATOM 0 HB ILE A 109 -116.956-114.421 8.477 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -116.852-112.012 8.717 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -117.838-112.738 9.971 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -117.257-115.041 10.878 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -115.972-115.999 10.105 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -115.549-114.648 11.183 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -116.470-110.910 10.878 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -115.987-112.462 11.604 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -114.986-111.725 10.330 1.00 0.00 H new ATOM 1224 N TYR A 110 -113.225-115.704 8.238 1.00 0.00 N ATOM 1225 CA TYR A 110 -112.568-116.922 7.864 1.00 0.00 C ATOM 1226 C TYR A 110 -112.704-117.924 9.022 1.00 0.00 C ATOM 1227 O TYR A 110 -112.021-117.818 10.038 1.00 0.00 O ATOM 1228 CB TYR A 110 -111.094-116.493 7.581 1.00 0.00 C ATOM 1229 CG TYR A 110 -110.195-117.652 7.292 1.00 0.00 C ATOM 1230 CD1 TYR A 110 -110.517-118.555 6.306 1.00 0.00 C ATOM 1231 CD2 TYR A 110 -109.116-117.893 8.106 1.00 0.00 C ATOM 1232 CE1 TYR A 110 -109.810-119.727 6.177 1.00 0.00 C ATOM 1233 CE2 TYR A 110 -108.378-119.041 7.961 1.00 0.00 C ATOM 1234 CZ TYR A 110 -108.748-119.983 7.025 1.00 0.00 C ATOM 1235 OH TYR A 110 -108.050-121.204 6.969 1.00 0.00 O ATOM 0 H TYR A 110 -112.609-115.116 8.799 1.00 0.00 H new ATOM 0 HA TYR A 110 -112.986-117.419 6.988 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -111.077-115.807 6.734 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -110.708-115.947 8.442 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -111.331-118.342 5.629 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -108.846-117.174 8.866 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -110.083-120.444 5.417 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -107.508-119.206 8.580 1.00 0.00 H new ATOM 0 HH TYR A 110 -107.335-121.203 7.639 1.00 0.00 H new ATOM 1245 N ARG A 111 -113.632-118.916 8.897 1.00 0.00 N ATOM 1246 CA ARG A 111 -113.911-120.018 9.833 1.00 0.00 C ATOM 1247 C ARG A 111 -114.181-119.642 11.312 1.00 0.00 C ATOM 1248 O ARG A 111 -113.810-120.344 12.251 1.00 0.00 O ATOM 1249 CB ARG A 111 -112.799-121.094 9.658 1.00 0.00 C ATOM 1250 CG ARG A 111 -113.234-122.547 9.921 1.00 0.00 C ATOM 1251 CD ARG A 111 -112.086-123.565 9.790 1.00 0.00 C ATOM 1252 NE ARG A 111 -111.530-123.517 8.390 1.00 0.00 N ATOM 1253 CZ ARG A 111 -110.454-124.264 7.984 1.00 0.00 C ATOM 1254 NH1 ARG A 111 -109.831-125.119 8.844 1.00 0.00 N ATOM 1255 NH2 ARG A 111 -110.001-124.149 6.700 1.00 0.00 N ATOM 0 H ARG A 111 -114.241-118.959 8.080 1.00 0.00 H new ATOM 0 HA ARG A 111 -114.886-120.419 9.557 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -112.411-121.028 8.642 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -111.975-120.853 10.330 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -113.657-122.615 10.923 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -114.026-122.813 9.221 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -111.301-123.340 10.512 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -112.448-124.568 10.015 1.00 0.00 H new ATOM 0 HE ARG A 111 -111.976-122.899 7.712 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -110.164-125.210 9.804 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -109.032-125.668 8.528 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -110.463-123.511 6.052 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -109.201-124.701 6.390 1.00 0.00 H new ATOM 1269 N GLY A 112 -114.807-118.449 11.513 1.00 0.00 N ATOM 1270 CA GLY A 112 -115.009-117.769 12.794 1.00 0.00 C ATOM 1271 C GLY A 112 -113.954-116.751 13.200 1.00 0.00 C ATOM 1272 O GLY A 112 -114.098-116.131 14.250 1.00 0.00 O ATOM 0 H GLY A 112 -115.200-117.920 10.735 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -115.975-117.265 12.763 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -115.070-118.526 13.576 1.00 0.00 H new ATOM 1276 N LYS A 113 -112.876-116.526 12.395 1.00 0.00 N ATOM 1277 CA LYS A 113 -111.815-115.558 12.665 1.00 0.00 C ATOM 1278 C LYS A 113 -112.110-114.205 12.023 1.00 0.00 C ATOM 1279 O LYS A 113 -112.328-114.097 10.814 1.00 0.00 O ATOM 1280 CB LYS A 113 -110.433-116.090 12.183 1.00 0.00 C ATOM 1281 CG LYS A 113 -109.208-115.190 12.450 1.00 0.00 C ATOM 1282 CD LYS A 113 -108.956-114.871 13.935 1.00 0.00 C ATOM 1283 CE LYS A 113 -107.650-114.098 14.179 1.00 0.00 C ATOM 1284 NZ LYS A 113 -107.670-112.777 13.507 1.00 0.00 N ATOM 0 H LYS A 113 -112.734-117.035 11.523 1.00 0.00 H new ATOM 0 HA LYS A 113 -111.777-115.419 13.745 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -110.256-117.055 12.659 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -110.494-116.270 11.110 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -108.322-115.675 12.041 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -109.337-114.253 11.908 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -109.792-114.288 14.321 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -108.929-115.803 14.500 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -107.501-113.961 15.250 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -106.806-114.682 13.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -107.132-112.091 14.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -107.239-112.861 12.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -108.653-112.451 13.411 1.00 0.00 H new ATOM 1298 N ILE A 114 -112.094-113.139 12.878 1.00 0.00 N ATOM 1299 CA ILE A 114 -112.335-111.736 12.585 1.00 0.00 C ATOM 1300 C ILE A 114 -111.101-111.049 11.991 1.00 0.00 C ATOM 1301 O ILE A 114 -110.097-110.793 12.655 1.00 0.00 O ATOM 1302 CB ILE A 114 -112.869-111.018 13.835 1.00 0.00 C ATOM 1303 CG1 ILE A 114 -112.017-111.259 15.114 1.00 0.00 C ATOM 1304 CG2 ILE A 114 -114.322-111.508 14.045 1.00 0.00 C ATOM 1305 CD1 ILE A 114 -112.401-110.334 16.276 1.00 0.00 C ATOM 0 H ILE A 114 -111.893-113.277 13.868 1.00 0.00 H new ATOM 0 HA ILE A 114 -113.103-111.675 11.814 1.00 0.00 H new ATOM 0 HB ILE A 114 -112.819-109.942 13.669 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -112.132-112.296 15.430 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -110.964-111.113 14.874 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -114.746-111.024 14.925 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -114.921-111.257 13.169 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -114.324-112.588 14.189 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -111.771-110.552 17.138 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -112.260-109.296 15.976 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -113.446-110.496 16.540 1.00 0.00 H new ATOM 1317 N VAL A 115 -111.163-110.768 10.662 1.00 0.00 N ATOM 1318 CA VAL A 115 -110.083-110.196 9.870 1.00 0.00 C ATOM 1319 C VAL A 115 -110.621-108.976 9.116 1.00 0.00 C ATOM 1320 O VAL A 115 -111.277-109.128 8.085 1.00 0.00 O ATOM 1321 CB VAL A 115 -109.517-111.236 8.872 1.00 0.00 C ATOM 1322 CG1 VAL A 115 -108.302-110.675 8.095 1.00 0.00 C ATOM 1323 CG2 VAL A 115 -109.113-112.554 9.582 1.00 0.00 C ATOM 0 H VAL A 115 -112.002-110.946 10.110 1.00 0.00 H new ATOM 0 HA VAL A 115 -109.271-109.897 10.532 1.00 0.00 H new ATOM 0 HB VAL A 115 -110.318-111.453 8.165 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -107.931-111.432 7.404 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -108.605-109.790 7.535 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -107.513-110.407 8.798 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -108.721-113.257 8.848 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -108.347-112.345 10.329 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -109.986-112.987 10.069 1.00 0.00 H new ATOM 1333 N THR A 116 -110.321-107.717 9.591 1.00 0.00 N ATOM 1334 CA THR A 116 -110.640-106.429 8.928 1.00 0.00 C ATOM 1335 C THR A 116 -109.398-106.064 8.138 1.00 0.00 C ATOM 1336 O THR A 116 -108.294-106.080 8.685 1.00 0.00 O ATOM 1337 CB THR A 116 -110.967-105.225 9.847 1.00 0.00 C ATOM 1338 OG1 THR A 116 -112.016-105.511 10.757 1.00 0.00 O ATOM 1339 CG2 THR A 116 -111.456-103.993 9.051 1.00 0.00 C ATOM 0 H THR A 116 -109.834-107.583 10.477 1.00 0.00 H new ATOM 0 HA THR A 116 -111.551-106.594 8.353 1.00 0.00 H new ATOM 0 HB THR A 116 -110.029-105.023 10.364 1.00 0.00 H new ATOM 0 HG1 THR A 116 -112.187-104.725 11.317 1.00 0.00 H new ATOM 0 HG21 THR A 116 -111.672-103.177 9.740 1.00 0.00 H new ATOM 0 HG22 THR A 116 -110.681-103.681 8.351 1.00 0.00 H new ATOM 0 HG23 THR A 116 -112.360-104.251 8.500 1.00 0.00 H new ATOM 1347 N PHE A 117 -109.515-105.750 6.823 1.00 0.00 N ATOM 1348 CA PHE A 117 -108.356-105.472 5.989 1.00 0.00 C ATOM 1349 C PHE A 117 -108.544-104.354 4.977 1.00 0.00 C ATOM 1350 O PHE A 117 -109.661-104.021 4.566 1.00 0.00 O ATOM 1351 CB PHE A 117 -107.822-106.781 5.308 1.00 0.00 C ATOM 1352 CG PHE A 117 -108.649-107.525 4.256 1.00 0.00 C ATOM 1353 CD1 PHE A 117 -109.913-107.195 3.746 1.00 0.00 C ATOM 1354 CD2 PHE A 117 -108.017-108.646 3.729 1.00 0.00 C ATOM 1355 CE1 PHE A 117 -110.469-107.941 2.726 1.00 0.00 C ATOM 1356 CE2 PHE A 117 -108.576-109.386 2.708 1.00 0.00 C ATOM 1357 CZ PHE A 117 -109.803-109.023 2.199 1.00 0.00 C ATOM 0 H PHE A 117 -110.407-105.687 6.333 1.00 0.00 H new ATOM 0 HA PHE A 117 -107.599-105.094 6.676 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -106.868-106.531 4.844 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -107.611-107.492 6.107 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -110.454-106.353 4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -107.060-108.946 4.131 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -111.440-107.671 2.337 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -108.055-110.244 2.310 1.00 0.00 H new ATOM 0 HZ PHE A 117 -110.241-109.586 1.388 1.00 0.00 H new ATOM 1367 N ILE A 118 -107.380-103.798 4.529 1.00 0.00 N ATOM 1368 CA ILE A 118 -107.304-102.809 3.452 1.00 0.00 C ATOM 1369 C ILE A 118 -106.348-103.347 2.395 1.00 0.00 C ATOM 1370 O ILE A 118 -105.198-103.661 2.704 1.00 0.00 O ATOM 1371 CB ILE A 118 -106.893-101.415 3.936 1.00 0.00 C ATOM 1372 CG1 ILE A 118 -105.758-101.462 4.993 1.00 0.00 C ATOM 1373 CG2 ILE A 118 -108.176-100.744 4.469 1.00 0.00 C ATOM 1374 CD1 ILE A 118 -105.196-100.084 5.339 1.00 0.00 C ATOM 0 H ILE A 118 -106.469-104.038 4.920 1.00 0.00 H new ATOM 0 HA ILE A 118 -108.299-102.669 3.030 1.00 0.00 H new ATOM 0 HB ILE A 118 -106.469-100.833 3.118 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -106.136-101.931 5.901 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -104.951-102.093 4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -107.940 -99.742 4.829 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -108.912-100.678 3.668 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -108.584-101.337 5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -104.407-100.189 6.083 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -104.788 -99.621 4.440 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -105.992 -99.457 5.741 1.00 0.00 H new ATOM 1386 N GLY A 119 -106.808-103.494 1.122 1.00 0.00 N ATOM 1387 CA GLY A 119 -106.022-104.052 0.021 1.00 0.00 C ATOM 1388 C GLY A 119 -106.745-103.867 -1.274 1.00 0.00 C ATOM 1389 O GLY A 119 -107.712-103.114 -1.319 1.00 0.00 O ATOM 0 H GLY A 119 -107.750-103.220 0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -105.048-103.564 -0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -105.839-105.112 0.196 1.00 0.00 H new ATOM 1393 N ASP A 120 -106.304-104.556 -2.364 1.00 0.00 N ATOM 1394 CA ASP A 120 -106.885-104.488 -3.709 1.00 0.00 C ATOM 1395 C ASP A 120 -106.564-105.797 -4.451 1.00 0.00 C ATOM 1396 O ASP A 120 -105.509-106.375 -4.181 1.00 0.00 O ATOM 1397 CB ASP A 120 -106.326-103.311 -4.579 1.00 0.00 C ATOM 1398 CG ASP A 120 -106.838-101.954 -4.083 1.00 0.00 C ATOM 1399 OD1 ASP A 120 -108.078-101.736 -4.137 1.00 0.00 O ATOM 1400 OD2 ASP A 120 -105.996-101.122 -3.650 1.00 0.00 O ATOM 0 H ASP A 120 -105.507-105.191 -2.314 1.00 0.00 H new ATOM 0 HA ASP A 120 -107.954-104.326 -3.575 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -105.236-103.322 -4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -106.620-103.454 -5.619 1.00 0.00 H new ATOM 1405 N PRO A 121 -107.419-106.346 -5.345 1.00 0.00 N ATOM 1406 CA PRO A 121 -107.151-107.580 -6.089 1.00 0.00 C ATOM 1407 C PRO A 121 -106.441-107.352 -7.438 1.00 0.00 C ATOM 1408 O PRO A 121 -106.540-106.270 -8.021 1.00 0.00 O ATOM 1409 CB PRO A 121 -108.577-108.123 -6.308 1.00 0.00 C ATOM 1410 CG PRO A 121 -109.445-106.873 -6.498 1.00 0.00 C ATOM 1411 CD PRO A 121 -108.764-105.829 -5.604 1.00 0.00 C ATOM 0 HA PRO A 121 -106.474-108.247 -5.556 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -108.623-108.774 -7.181 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -108.912-108.712 -5.454 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -109.469-106.555 -7.540 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -110.477-107.050 -6.195 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -108.722-104.858 -6.098 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -109.316-105.690 -4.674 1.00 0.00 H new ATOM 1419 N VAL A 122 -105.764-108.411 -7.965 1.00 0.00 N ATOM 1420 CA VAL A 122 -105.133-108.456 -9.287 1.00 0.00 C ATOM 1421 C VAL A 122 -105.534-109.756 -9.994 1.00 0.00 C ATOM 1422 O VAL A 122 -105.550-110.836 -9.400 1.00 0.00 O ATOM 1423 CB VAL A 122 -103.611-108.249 -9.231 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -102.877-109.362 -8.451 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -103.013-108.044 -10.647 1.00 0.00 C ATOM 0 H VAL A 122 -105.647-109.283 -7.449 1.00 0.00 H new ATOM 0 HA VAL A 122 -105.500-107.615 -9.875 1.00 0.00 H new ATOM 0 HB VAL A 122 -103.447-107.331 -8.667 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -101.806-109.158 -8.448 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -103.244-109.390 -7.425 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -103.062-110.324 -8.929 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -101.935-107.901 -10.570 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -103.219-108.922 -11.260 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -103.464-107.165 -11.109 1.00 0.00 H new ATOM 1435 N ASP A 123 -105.875-109.690 -11.313 1.00 0.00 N ATOM 1436 CA ASP A 123 -106.226-110.832 -12.165 1.00 0.00 C ATOM 1437 C ASP A 123 -105.069-111.255 -13.066 1.00 0.00 C ATOM 1438 O ASP A 123 -104.277-110.425 -13.508 1.00 0.00 O ATOM 1439 CB ASP A 123 -107.522-110.583 -13.015 1.00 0.00 C ATOM 1440 CG ASP A 123 -107.461-109.372 -13.965 1.00 0.00 C ATOM 1441 OD1 ASP A 123 -107.395-108.219 -13.464 1.00 0.00 O ATOM 1442 OD2 ASP A 123 -107.490-109.598 -15.204 1.00 0.00 O ATOM 0 H ASP A 123 -105.910-108.803 -11.816 1.00 0.00 H new ATOM 0 HA ASP A 123 -106.439-111.652 -11.480 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -107.728-111.477 -13.604 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -108.363-110.449 -12.335 1.00 0.00 H new ATOM 1520 N GLU A 129 -108.120-118.694 -14.999 1.00 0.00 N ATOM 1521 CA GLU A 129 -109.257-118.303 -14.180 1.00 0.00 C ATOM 1522 C GLU A 129 -108.904-118.217 -12.693 1.00 0.00 C ATOM 1523 O GLU A 129 -109.385-118.990 -11.873 1.00 0.00 O ATOM 1524 CB GLU A 129 -110.436-119.288 -14.418 1.00 0.00 C ATOM 1525 CG GLU A 129 -110.915-119.290 -15.884 1.00 0.00 C ATOM 1526 CD GLU A 129 -112.107-120.228 -16.090 1.00 0.00 C ATOM 1527 OE1 GLU A 129 -112.551-120.882 -15.108 1.00 0.00 O ATOM 1528 OE2 GLU A 129 -112.593-120.299 -17.252 1.00 0.00 O ATOM 0 HA GLU A 129 -109.558-117.300 -14.483 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -110.126-120.295 -14.139 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -111.268-119.018 -13.767 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -111.194-118.278 -16.177 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -110.095-119.596 -16.534 1.00 0.00 H new ATOM 1535 N ILE A 130 -108.030-117.257 -12.307 1.00 0.00 N ATOM 1536 CA ILE A 130 -107.583-117.092 -10.944 1.00 0.00 C ATOM 1537 C ILE A 130 -107.239-115.646 -10.623 1.00 0.00 C ATOM 1538 O ILE A 130 -106.313-115.039 -11.165 1.00 0.00 O ATOM 1539 CB ILE A 130 -106.482-118.096 -10.573 1.00 0.00 C ATOM 1540 CG1 ILE A 130 -106.154-118.099 -9.058 1.00 0.00 C ATOM 1541 CG2 ILE A 130 -105.245-117.919 -11.472 1.00 0.00 C ATOM 1542 CD1 ILE A 130 -105.250-119.263 -8.639 1.00 0.00 C ATOM 0 H ILE A 130 -107.625-116.581 -12.954 1.00 0.00 H new ATOM 0 HA ILE A 130 -108.423-117.334 -10.293 1.00 0.00 H new ATOM 0 HB ILE A 130 -106.870-119.095 -10.771 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -105.670-117.158 -8.796 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -107.084-118.147 -8.491 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -104.481-118.643 -11.187 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -105.526-118.079 -12.513 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -104.851-116.910 -11.354 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -105.058-119.207 -7.567 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -105.742-120.208 -8.871 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -104.306-119.203 -9.180 1.00 0.00 H new ATOM 1554 N THR A 131 -107.977-115.068 -9.626 1.00 0.00 N ATOM 1555 CA THR A 131 -107.568-113.854 -8.911 1.00 0.00 C ATOM 1556 C THR A 131 -106.944-114.250 -7.570 1.00 0.00 C ATOM 1557 O THR A 131 -107.395-115.151 -6.835 1.00 0.00 O ATOM 1558 CB THR A 131 -108.554-112.691 -8.668 1.00 0.00 C ATOM 1559 OG1 THR A 131 -109.666-112.982 -7.833 1.00 0.00 O ATOM 1560 CG2 THR A 131 -109.062-112.102 -9.982 1.00 0.00 C ATOM 0 H THR A 131 -108.870-115.445 -9.308 1.00 0.00 H new ATOM 0 HA THR A 131 -106.888-113.410 -9.639 1.00 0.00 H new ATOM 0 HB THR A 131 -107.950-111.966 -8.123 1.00 0.00 H new ATOM 0 HG1 THR A 131 -110.085-113.818 -8.126 1.00 0.00 H new ATOM 0 HG21 THR A 131 -109.754-111.286 -9.772 1.00 0.00 H new ATOM 0 HG22 THR A 131 -108.220-111.724 -10.561 1.00 0.00 H new ATOM 0 HG23 THR A 131 -109.576-112.875 -10.553 1.00 0.00 H new ATOM 1568 N ARG A 132 -105.885-113.452 -7.266 1.00 0.00 N ATOM 1569 CA ARG A 132 -105.141-113.392 -6.042 1.00 0.00 C ATOM 1570 C ARG A 132 -105.292-111.958 -5.559 1.00 0.00 C ATOM 1571 O ARG A 132 -105.230-110.981 -6.313 1.00 0.00 O ATOM 1572 CB ARG A 132 -103.641-113.778 -6.173 1.00 0.00 C ATOM 1573 CG ARG A 132 -102.815-112.990 -7.216 1.00 0.00 C ATOM 1574 CD ARG A 132 -101.298-113.196 -7.077 1.00 0.00 C ATOM 1575 NE ARG A 132 -100.855-112.586 -5.772 1.00 0.00 N ATOM 1576 CZ ARG A 132 -99.568-112.654 -5.307 1.00 0.00 C ATOM 1577 NH1 ARG A 132 -98.593-113.271 -6.034 1.00 0.00 N ATOM 1578 NH2 ARG A 132 -99.262-112.095 -4.100 1.00 0.00 N ATOM 0 H ARG A 132 -105.523-112.789 -7.951 1.00 0.00 H new ATOM 0 HA ARG A 132 -105.533-114.129 -5.341 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -103.170-113.652 -5.198 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -103.582-114.838 -6.421 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -103.125-113.292 -8.217 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -103.040-111.928 -7.119 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -101.055-114.258 -7.101 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -100.774-112.730 -7.911 1.00 0.00 H new ATOM 0 HE ARG A 132 -101.549-112.098 -5.206 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -98.818-113.690 -6.937 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -97.639-113.314 -5.675 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -99.988-111.632 -3.553 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -98.307-112.140 -3.745 1.00 0.00 H new ATOM 1592 N ILE A 133 -105.514-111.821 -4.245 1.00 0.00 N ATOM 1593 CA ILE A 133 -105.653-110.554 -3.560 1.00 0.00 C ATOM 1594 C ILE A 133 -104.787-110.591 -2.312 1.00 0.00 C ATOM 1595 O ILE A 133 -104.649-111.605 -1.618 1.00 0.00 O ATOM 1596 CB ILE A 133 -107.132-110.230 -3.288 1.00 0.00 C ATOM 1597 CG1 ILE A 133 -107.413-108.951 -2.444 1.00 0.00 C ATOM 1598 CG2 ILE A 133 -107.846-111.482 -2.759 1.00 0.00 C ATOM 1599 CD1 ILE A 133 -107.579-109.149 -0.929 1.00 0.00 C ATOM 0 H ILE A 133 -105.603-112.622 -3.620 1.00 0.00 H new ATOM 0 HA ILE A 133 -105.301-109.733 -4.185 1.00 0.00 H new ATOM 0 HB ILE A 133 -107.561-109.952 -4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -106.596-108.248 -2.608 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -108.319-108.482 -2.828 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -108.894-111.250 -2.567 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -107.781-112.279 -3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -107.371-111.808 -1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -107.770-108.186 -0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -108.417-109.819 -0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -106.668-109.582 -0.517 1.00 0.00 H new